Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Acetonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL8753021 | 1.00 | — | — | |
| Acetonitrile SCHEMBL27640803 | 1.00 | CA2 (0.41) | — | |
| Acetonitrile SCHEMBL21145446 | 0.96 | CA2 (0.39) | — | |
| Sulfuric Acid SCHEMBL4170715 | 0.88 | — | — | |
| Sulfuric Acid SCHEMBL1199700 | 0.88 | — | — | |
| SCHEMBL27917970 | 0.88 | — | — | |
| Sulfuric Acid SCHEMBL7533455 | 0.88 | CA5A (0.50) | — | |
| Sulfuric Acid SCHEMBL27871725 | 0.88 | CA5A (0.50) | — | |
| Sulfuric Acid SCHEMBL27888295 | 0.88 | CA5A (0.50) | — | |
| Acetic Acid SCHEMBL28300370 | 0.87 | FFAR3 (0.41) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113905797-B | Liquid chromatography-based separation method for amines | 株式会社大赛璐 | 2023-04-18 | — | — | CN | disclosed |
| CN-113905797-A | Liquid chromatography-based separation method for amines | 株式会社大赛璐 | 2022-01-07 | — | — | CN | disclosed |
| CN-109557205-B | Method for detecting homopiperazine from fasudil hydrochloride | 成都倍特药业股份有限公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-110655502-A | Acid addition salts of Trk inhibiting compounds | 小野药品工业株式会社 | 2020-01-07 | — | — | CN | disclosed |
| CN-106573913-B | Inhibit the acid-addition salts of the compound of Trk | 小野药品工业株式会社 | 2019-11-19 | — | — | CN | disclosed |
| US-10399959-B2 | Acid-addition salt of Trk-inhibiting compound | ONO PHARMACEUTICAL CO., LTD. (JP) | 2019-09-03 | — | — | US | disclosed |
| CN-109862890-A | Purifying CENICRIVIROC and the purifying intermediate for being used to prepare CENICRIVIROC | 妥必徕疗治公司 | 2019-06-07 | — | — | CN | disclosed |
| EP-3184519-B1 | ACID-ADDITION SALT OF TRK-INHIBITING COMPOUND | ONO PHARMACEUTICAL CO (JP) | 2019-04-24 | — | — | EP | disclosed |
| US-20170240527-A1 | ACID-ADDITION SALT OF Trk-INHIBITING COMPOUND | ONO PHARMACEUTICAL CO., LTD. (JP) | 2017-08-24 | — | — | US | disclosed |
| EP-3184519-A1 | ACID-ADDITION SALT OF Trk-INHIBITING COMPOUND | ONO Pharmaceutical Co., Ltd. (JP) | 2017-06-28 | — | — | EP | disclosed |
| US-8974984-B2 | Power generation system using an alkaline fuel cell and fuel gas for alkaline fuel cells used in the system | TOKUYAMA CORPORATION (JP) | 2015-03-10 | — | — | US | disclosed |
| CN-103901116-A | Detection analysis method for impurity homopiperazine in fasudil hydrochloride | JIANGSU WANBANG BIOPHARMACEUTICALS CO LTD | 2014-07-02 | — | — | CN | disclosed |
| EP-2461411-A9 | POWER GENERATION SYSTEM UTILIZING ALKALINE FUEL CELL, AND FUEL GAS FOR ALKALINE FUEL CELL FOR USE IN THE SYSTEM | Tokuyama Corporation (JP) | 2012-08-15 | — | — | EP | disclosed |
| EP-2461411-A1 | POWER GENERATION SYSTEM UTILIZING ALKALINE FUEL CELL, AND FUEL GAS FOR ALKALINE FUEL CELL FOR USE IN THE SYSTEM | Tokuyama Corporation (JP) | 2012-06-06 | — | — | EP | disclosed |
| US-20120122006-A1 | Power Generation System Using an Alkaline Fuel Cell and Fuel Gas for Alkaline Fuel Cells Used in the System | TOKUYAMA CORPORATION (JP) | 2012-05-17 | — | — | US | disclosed |
| EP-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| CN-101473039-A | Method for producing enantiomerically enriched beta-aminoalcohols starting from glycine and an aldehyde in the presence of a threonine aldolase and a decarboxylase | DSM IP ASSETS BV (NL) | 2009-07-01 | — | — | CN | disclosed |