⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2076895 | 0.82 | — | — | |
| Acetonitrile SCHEMBL28114815 | 0.78 | LMNA (0.71) | — | |
| SCHEMBL19371517 | 0.76 | — | — | |
| Water SCHEMBL7297011 | 0.76 | — | — | |
| SCHEMBL2652 | 0.74 | — | — | |
| SCHEMBL8039381 | 0.74 | LMNA (0.63) | — | |
| SCHEMBL2360896 | 0.74 | — | — | |
| SCHEMBL2094168 | 0.73 | LMNA (1.00) | — | |
| SCHEMBL9459 | 0.73 | — | — | |
| SCHEMBL10428842 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3626705-B1 | ISOCYANATE PRODUCTION METHOD | ASAHI CHEMICAL IND (JP) | 2021-03-24 | — | — | EP | disclosed |
| EP-0153001-B1 | STEROIDS HAVING AN ENAMIDE OR ENIMIDE GROUP AND THEIR PREPARATION | THE UPJOHN COMPANY (US) | 1992-03-11 | — | — | EP | disclosed |
| US-4831131-A | 11β,17α-Dihydroxy-17β-cyano-androstanes | THE UPJOHN COMPANY (US) | 1989-05-16 | — | — | US | disclosed |
| US-4585590-A | Cyanohydrin process | THE UPJOHN COMPANY (US) | 1986-04-29 | — | — | US | disclosed |
| US-4548748-A | Cyanohydrin process | THE UPJOHN COMPANY (US) | 1985-10-22 | — | — | US | disclosed |
| EP-0153001-A2 | Steroids having an enamide or enimide group and their preparation | THE UPJOHN COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| US-4500461-A | Cyanohydrin process | THE UPJOHN COMPANY (US) | 1985-02-19 | — | — | US | disclosed |