⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7500382 | 0.64 | — | — | |
| SCHEMBL6913000 | 0.62 | — | — | |
| SCHEMBL50067 | 0.62 | — | — | |
| SCHEMBL20317 | 0.62 | — | — | |
| Acrylonitrile SCHEMBL1331891 | 0.59 | — | — | |
| SCHEMBL5533285 | 0.59 | — | — | |
| SCHEMBL14860612 | 0.59 | — | — | |
| SCHEMBL251311 | 0.59 | — | — | |
| SCHEMBL30190 | 0.59 | — | — | |
| Acrylonitrile SCHEMBL1331795 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0342252-A1 | 3-allyl- and 3-butenyl-3-cephems and a process for the production thereof | Bristol-Myers Squibb Company (US) | 1989-11-23 | — | — | EP | disclosed |
| US-4847373-A | COUPLING A 3-CHLOROMETHYL-3-CEPHEMS, PALLADIUM AND PHOSPHINE CATALYSTS | BRISTOL-MYERS COMPANY (US) | 1989-07-11 | — | — | US | disclosed |