⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8402032 | 1.00 | — | — | |
| Water SCHEMBL597798 | 0.81 | MAPK10 (0.38) | — | |
| SCHEMBL3192138 | 0.81 | — | — | |
| SCHEMBL12588737 | 0.81 | — | — | |
| SCHEMBL7180210 | 0.79 | — | — | |
| SCHEMBL7180208 | 0.79 | — | — | |
| Water SCHEMBL261457 | 0.79 | MAPK10 (0.37) | — | |
| SCHEMBL1936955 | 0.79 | MAPK10 (0.37) | — | |
| SCHEMBL28384192 | 0.79 | MAPK10 (0.37) | — | |
| SCHEMBL27708404 | 0.77 | MAPK10 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9132560-A | — | — | None | — | — | JP | disclosed |
| JP-6192245-A | — | — | None | — | — | JP | disclosed |
| US-5714514-A | 2-Cyano-3-mercaptocrotonamides | HOECHST AKTIEGESELLSCHAFT (DE) | 1998-02-03 | — | — | US | disclosed |
| US-5714514-A | 2-Cyano-3-mercaptocrotonamides | HOECHST AKTIEGESELLSCHAFT (DE) | 1998-02-03 | — | — | US | disclosed |
| JP-H09132560-A | 2-CYANO-3-MERCAPTOCROTONAMIDE | HOECHST AG | 1997-05-20 | — | — | JP | disclosed |
| JP-H06192245-A | PRODUCTION OF ISOTHIAZOLONE DERIVATIVE | NIPPON NOHYAKU CO LTD | 1994-07-12 | — | — | JP | disclosed |