⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9467445 | 0.77 | — | — | |
| SCHEMBL2210620 | 0.72 | — | — | |
| SCHEMBL2213430 | 0.71 | POLB (0.30) | — | |
| SCHEMBL9468178 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL2240355 | 0.69 | THRA (0.34) | — | |
| SCHEMBL2209021 | 0.69 | — | — | |
| SCHEMBL30740608 | 0.69 | — | — | |
| SCHEMBL2241402 | 0.68 | — | — | |
| SCHEMBL9468256 | 0.67 | DAO (0.32) | — | |
| SCHEMBL1453914 | 0.64 | — | — |
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-5206360-A | Bactericides | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-04-27 | — | — | US | disclosed |
| US-5169843-A | Bactericides | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-12-08 | — | — | US | disclosed |
| EP-0484030-A2 | Antibiotic C-3 cyclobutenedione substituted (1-carba)cephalosporin compounds, compositions, and methods of use thereof | Bristol-Myers Squibb Company (US) | 1992-05-06 | — | — | EP | disclosed |
| US-5106842-A | Bactericides | BRISTOL-MYERS SQUIBB CO. (US) | 1992-04-21 | — | — | US | disclosed |