Hexane

Hexane

SCHEMBL244151

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC(C(Cl)Cl)C(Cl)Cl

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
LMNA P02545 1/20 0.40
DNM1 Q05193 2/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
SLC22A1 O15245 3/20 0.38
SLC22A2 O15244 1/20 0.38
FDPS P14324 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR84 Q9NQS5 2/20 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
Hexane SCHEMBL580067 1.00 OPRM1 (0.43) OPRM1LMNADNM1TSHRTHRB
SCHEMBL1081317 1.00 OPRM1 (0.43) OPRM1LMNADNM1TSHRTHRB
Hexane SCHEMBL1080155 1.00 OPRM1 (0.43) OPRM1LMNADNM1TSHRTHRB
Heptane SCHEMBL1323676 0.97 TSHR (0.44) OPRM1LMNADNM1TSHRTHRB
Pentane SCHEMBL8736679 0.88 TSHR (0.41) OPRM1LMNADNM1TSHRTHRB
SCHEMBL11395349 0.78 TSHR (0.32) TSHR
SCHEMBL4447269 0.75 OPRM1 (0.48) OPRM1LMNADNM1TSHRTHRB
SCHEMBL169284 0.75
SCHEMBL5999707 0.74 TSHR (0.44) OPRM1LMNADNM1TSHRTHRB
SCHEMBL27908062 0.74 TSHR (0.44) OPRM1LMNADNM1TSHRTHRB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117757066-A Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2024-03-26 CN disclosed
CN-117757067-A Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2024-03-26 CN disclosed
CN-111868140-B Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2023-12-26 CN disclosed
CN-116496493-A Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2023-07-28 CN disclosed
EP-3284736-B1 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2021-03-03 EP disclosed
EP-3284736-A1 FLUORINATION OF AROMATIC RING SYSTEMS NUtech Ventures (US) 2018-02-21 EP disclosed
EP-2537826-B1 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2017-03-08 EP disclosed
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
EP-2726446-A2 FLUORINATION OF AROMATIC RING SYSTEMS Nutech Ventures (US) 2014-05-07 EP disclosed
US-8604213-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2013-12-10 US disclosed
US-8377704-B2 Detection and quantification of anions NUTECH VENTURES (US) 2013-02-19 US disclosed
WO-2013003734-A2 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2013-01-03 WO disclosed
EP-2537826-A1 Fluorination of aromatic ring systems Nutech Ventures (US) 2012-12-26 EP disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 US disclosed
EP-2349977-A2 FLUORINATION OF AROMATIC RING SYSTEMS The Board of Regents of the University of Nebraska (US) 2011-08-03 EP disclosed
US-20110091982-A1 Detection and Quantification of Anions NUTECH VENTURES 2011-04-21 US disclosed
WO-2010048170-A2 FLUORINATION OF AROMATIC RING SYSTEMS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2010-04-29 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 (2 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC OPRM1 2977/4885LMNA 2489/4885DNM1 678/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC OPRM1 2977/4885LMNA 2489/4885DNM1 678/4885

“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.