Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL138865 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28052971 | 0.94 | — | — | |
| Monoethanolamine SCHEMBL20360727 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL26395722 | 0.73 | TSHR (0.36) | — | |
| Betaine SCHEMBL59207 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28343100 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9096616 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL12557080 | 0.69 | TSHR (0.59) | — | |
| SCHEMBL8742965 | 0.69 | TSHR (0.43) | — | |
| Betaine SCHEMBL9183983 | 0.69 | LMNA (0.94) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3017307-B1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIV STRASBOURG (FR) | 2018-11-21 | — | — | EP | disclosed |
| US-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2018-11-20 | — | — | US | disclosed |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-07-27 | — | — | US | disclosed |
| US-9663454-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2017-05-30 | — | — | US | disclosed |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2016-05-26 | — | — | US | disclosed |
| EP-3017307-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | Université de Strasbourg (FR) | 2016-05-11 | — | — | EP | disclosed |
| WO-2015001117-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2015-01-08 | — | — | WO | disclosed |
| EP-1453502-A4 | PHARMACEUTICAL FORMULATIONS COMPRISING INDOLINONE DERIVATIVES | SUGEN INC (US) | 2007-01-10 | — | — | EP | disclosed |
| US-7112603-B2 | Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives | AGOURON PHARMACEUTICALS, INC. (US) | 2006-09-26 | — | — | US | disclosed |
| US-7109185-B2 | Pharmaceutical formulations comprising indolinone derivatives | SUGEN, INC. (US) | 2006-09-19 | — | — | US | disclosed |
| EP-1453502-A2 | PHARMACEUTICAL FORMULATIONS COMPRISING INDOLINONE DERIVATIVES | Sugen, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| US-6716870-B2 | PROTEIN KINASE MODULATORS | SUGEN, INC. | 2004-04-06 | — | — | US | disclosed |
| US-20030176399-A1 | Pharmaceutical formulations comprising indolinone derivatives | SUGEN INCORPORATED | 2003-09-18 | — | — | US | disclosed |
| WO-2003045307-A2 | PHARMACEUTICAL FORMULATIONS COMPRISING INDOLINONE DERIVATIVES | SUGEN, INC. (US) | 2003-06-05 | — | — | WO | disclosed |
| US-20030083363-A1 | Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives | SUGEN INCORPORATED | 2003-05-01 | — | — | US | disclosed |
| EP-1283835-A2 | 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS | Sugen, Inc. (US) | 2003-02-19 | — | — | EP | disclosed |
| US-6482848-B2 | KINASE INHIBITORS | SUGEN INCORPORATED | 2002-11-19 | — | — | US | disclosed |
| US-20020037878-A1 | Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives | PHARMACIA & UPJOHN COMPANY | 2002-03-28 | — | — | US | disclosed |
| WO-2001090103-A9 | 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS | SUGEN INC (US) | 2002-03-07 | — | — | WO | disclosed |
| WO-2001090103-A2 | 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS | SUGEN, INC. (US) | 2001-11-29 | — | — | WO | disclosed |