Aminoethyl Nitrate

Aminoethyl Nitrate

SCHEMBL220511

NCCO[N+](=O)[O-].O=[N+]([O-])O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Aminoethyl Nitrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34

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
Aminoethyl Nitrate SCHEMBL10944529 0.98 CA5A (0.38) CA5ACA5BALDH1A1CA12CA1
Aminoethyl Nitrate SCHEMBL457055 0.92
Aminoethyl Nitrate SCHEMBL7846288 0.90
Nitric Acid SCHEMBL220687 0.86 CA12 (0.40) CA5ACA5BALDH1A1CA12CA1
Nitric Acid SCHEMBL2564368 0.84 CA12 (0.42) CA5ACA5BALDH1A1CA12CA1
Ethylenediamine SCHEMBL721753 0.81 CA5A (0.61) CA5ACA5BALDH1A1
Ethylenediamine SCHEMBL6232364 0.81 CA5A (0.61) CA5ACA5BALDH1A1
Ethylenediamine SCHEMBL2733332 0.81 CA5A (0.61) CA5ACA5BALDH1A1
Ethylenediamine SCHEMBL723589 0.81
Ethylenediamine SCHEMBL28858090 0.81 CA5A (0.61) CA5ACA5BALDH1A1

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592436-A Low-vulnerability propellant and preparation method thereof 湖北三江航天江河化工科技有限公司 2020-08-28 CN claimed
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 US disclosed
CN-108864386-B Modulus regulator, preparation method and application thereof 湖北航天化学技术研究所 2020-12-18 CN disclosed
EP-3094333-B1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES EUCLISES PHARMACEUTICALS INC (US) 2020-10-14 EP disclosed
CN-111592436-A Low-vulnerability propellant and preparation method thereof 湖北三江航天江河化工科技有限公司 2020-08-28 CN disclosed
CN-106316729-B Azide polyether propellant with wide adaptability 湖北航天化学技术研究所 2020-03-24 CN disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 US disclosed
US-10266511-B2 No-releasing nitrooxy-chromene conjugates Euclises Pharmaceuticals, Inc. (US) 2019-04-23 US disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
EP-0540544-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY. ITALFARMACO SPA (IT) 1993-05-12 EP disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0506434-A1 Thiazolidinone and oxazolidinone derivatives, their preparation and their use as vasodilators Sankyo Company Limited (JP) 1992-09-30 EP disclosed
WO-1992001668-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1992-02-06 WO disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed
US-4886822-A SIDE EFFECT REDUCTION KOWA COMPANY, LTD. (JP) 1989-12-12 US disclosed
EP-0286979-A1 Substituted anilide derivatives KOWA COMPANY, LTD. (JP) 1988-10-19 EP disclosed
US-4612313-A Pharmaceutical phenylacetonitrile derivatives BOEHRINGER MANNHEIM GMBH (DE) 1986-09-16 US 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 (4 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-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CA5A 2230/4885CA5B 2102/4885ALDH1A1 1850/4885
US-10266511-B2 No-releasing nitrooxy-chromene conjugates NOS1, NOS2, NOS3 CA5A 1675/4885CA5B 2123/4885ALDH1A1 580/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CA5A 2230/4885CA5B 2102/4885ALDH1A1 1850/4885
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 CA5A 946/4885CA5B 1451/4885ALDH1A1 3959/4885

“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.