⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22654087 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL9939600 | 0.73 | — | — | |
| SCHEMBL9428529 | 0.73 | — | — | |
| SCHEMBL17378568 | 0.71 | — | — | |
| SCHEMBL7613099 | 0.71 | — | — | |
| SCHEMBL953966 | 0.71 | — | — | |
| SCHEMBL15672836 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL23892733 | 0.69 | — | — | |
| SCHEMBL17902645 | 0.69 | — | — | |
| SCHEMBL8410257 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170037056-A1 | Iminothiadiazepane Dioxide Compounds as BACE Inhibitors, Compositions, and Their Use | MERCK SHARP & DOHME CORP. (US) | 2017-02-09 | — | — | US | disclosed |
| WO-1998028280-A1 | CERTAIN 3-[2,4-DISUBSTITUTED-5-(SUBSTITUTED AMINO)PHENYL]-1-SUBSTITUTED-6-TRIFLUOROMETHYL-2,4-(1H,3H)-PYRIMIDINEDIONE DERIVATIVES AS HERBICIDES | FMC CORPORATION (US) | 1998-07-02 | — | — | WO | disclosed |
| US-4424167-A | Process for the preparation of 2,3-dichlorosulphonyl-acrylonitriles | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-03 | — | — | US | disclosed |
| EP-0051202-A1 | Process for preparing 2,3-dichloro-sulfonyl acrylonitriles | BAYER AG (DE) | 1982-05-12 | — | — | EP | disclosed |