⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL11464159 | 0.95 | — | — | |
| Acetonitrile SCHEMBL21275385 | 0.91 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.82 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.82 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.82 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.82 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.82 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.82 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10524251 | 0.82 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10051948 | 0.82 | — | — |
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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539194-B | Synthesis method of 2,2' -di (trifluoromethyl) -4,4', 5' -biphenyl dianhydride | 常州市阳光药业有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-114539194-A | Synthesis method of 2,2' -bis (trifluoromethyl) -4,4',5,5' -biphenyl dianhydride | 常州市阳光药业有限公司 | 2022-05-27 | — | — | CN | claimed |
| EP-0009200-B1 | PROCESS FOR THE MANUFACTURE OF N,N-DIMETHYLAMINOACETONITRILE | BAYER AG (DE) | 1981-01-14 | — | — | EP | claimed |
| EP-0001983-B1 | METHOD FOR ISOLATING OR OBTAINING N,N-DIMETHYLAMINOACETONITRILE FROM N,N-DIMETHYLAMINOACETONITRILE/WATER MIXTURES | BAYER AG (DE) | 1980-12-10 | — | — | EP | claimed |
| US-4225510-A | CHLORINATION OF (DIMETHYLAMINO) ACETONITRILE | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-30 | — | — | US | claimed |
| US-4216332-A | FROM N,N-DIMETHYLAMINO ACETONITRILE AND CHLORINE GAS | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | claimed |
| US-4176133-A | Process for isolating N,N-dimethylaminoacetonitrile from water mixtures | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-27 | — | — | US | claimed |
| JP-57002257-A | — | — | None | — | — | JP | disclosed |
| JP-62051636-A | — | — | None | — | — | JP | disclosed |
| CN-114539194-B | Synthesis method of 2,2' -di (trifluoromethyl) -4,4', 5' -biphenyl dianhydride | 常州市阳光药业有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-113429315-B | Purification and refining method of alkyl substituted aminoacetonitrile | 河北诚信集团有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-109689614-B | In the presence of a catalyst supported on ZrO 2 Method for hydrogenating nitriles in the presence of ruthenium catalysts | 巴斯夫欧洲公司 | 2023-02-17 | — | — | CN | disclosed |
| US-20230021458-A1 | METHOD FOR PRODUCING SOLID ELECTROLYTE | IDEMITSU KOSAN CO.,LTD. (JP) | 2023-01-26 | — | — | US | disclosed |
| EP-0009200-A1 | Process for the manufacture of N,N-dimethylaminoacetonitrile | BAYER AG (DE) | 1980-04-02 | — | — | EP | disclosed |
| EP-0009200-A1 | Process for the manufacture of N,N-dimethylaminoacetonitrile | BAYER AG (DE) | 1980-04-02 | — | — | EP | disclosed |
| US-4176133-A | Process for isolating N,N-dimethylaminoacetonitrile from water mixtures | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-27 | — | — | US | disclosed |
| US-4176133-A | Process for isolating N,N-dimethylaminoacetonitrile from water mixtures | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-27 | — | — | US | disclosed |
| US-4176133-A | Process for isolating N,N-dimethylaminoacetonitrile from water mixtures | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-27 | — | — | US | disclosed |
| EP-0001983-A1 | Method for isolating or obtaining N,N-dimethylaminoacetonitrile from N,N-dimethylaminoacetonitrile/water mixtures | BAYER AG (DE) | 1979-05-30 | — | — | EP | disclosed |
| US-4016188-A | CATALYTIC | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1977-04-05 | — | — | US | disclosed |