Ethylene Glycol

Ethylene Glycol

SCHEMBL167826

O=[N+]([O-])OCCCCO[N+](=O)[O-].OCCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA9 Q16790 4/20 0.43
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR2 Q92731 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ethylene Glycol SCHEMBL11504874 0.95 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL167827 0.92
SCHEMBL30989302 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL19212517 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL30989325 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL1246014 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL3774795 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL21810763 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL21810753 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL3765567 0.90 CA12 (0.43) CA12CA1CA2CA4CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE SMARTEK INTERNATIONAL, INC. 2017-04-20 US disclosed
US-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation FARBER MICHAEL (US) 2015-07-23 US disclosed
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS FARBER MICHAEL (US) 2015-04-02 US disclosed
US-8946160-B2 Nitric oxide amino acid esters for improving vascular circulation, and prophylaxis or treatment of a condition associated with impaired blood circulation ORAL DELIVERY TECHNOLOGY LTD. (CA) 2015-02-03 US disclosed
US-8883844-B2 Nitric oxide releasing amino acid ester for treatment of pulmonary hypertension and other respiratory conditions NITROGENIX INC. (VG) 2014-11-11 US disclosed
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NITROGENIX, INC. (VG) 2014-05-29 US disclosed
US-20130287866-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation ORAL DELIVERY TECHNOLOGY LTD. (CA) 2013-10-31 US disclosed
EP-2632453-A1 NITRIC OXIDE AMINO ACID ESTERS FOR IMPROVING VASCULAR CIRCULATION, AND PROPHYLAXIS OR TREATMENT OF A CONDITION ASSOCIATED WITH IMPAIRED BLOOD CIRCULATION Oral Delivery Technology Ltd. (CA) 2013-09-04 EP disclosed
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-11-15 US disclosed
WO-2012088597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR ENHANCEMENT OF PHYSICAL OR MUSCULAR PERFORMANCE AND THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-07-05 WO disclosed
WO-2012079146-A1 NITRIC OXIDE AMINO ACID ESTERS FOR IMPROVING VASCULAR CIRCULATION, AND PROPHYLAXIS OR TREATMENT OF A CONDITION ASSOCIATED WITH IMPAIRED BLOOD CIRCULATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-06-21 WO disclosed
WO-2012037665-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-29 WO disclosed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 WO disclosed
WO-2011057387-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD . (CA) 2011-05-19 WO disclosed
WO-2011057386-A1 COMPOSITION AND PROPHYLACTIC DEVICE FOR ENHANCING SEXUAL PERFORMANCE OR PLEASURE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2011-05-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 CA12 3029/4885CA1 2229/4885CA2 1334/4885
US-20130287866-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 CA12 2316/4885CA1 2116/4885CA2 1136/4885
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 CA12 2305/4885CA1 2425/4885CA2 440/4885
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN NOS2, NOS3, NOS1 CA12 1144/4885CA1 1120/4885CA2 275/4885
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 CA12 2305/4885CA1 2425/4885CA2 440/4885
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE NOS1, NOS2, NOS3 CA12 4112/4885CA1 2920/4885CA2 2659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.