⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11033057 | 0.87 | — | — | |
| SCHEMBL11206804 | 0.86 | — | — | |
| SCHEMBL10540916 | 0.86 | ELANE (0.33) | — | |
| SCHEMBL9384995 | 0.85 | CYP1A2 (0.30) | — | |
| SCHEMBL11175404 | 0.85 | — | — | |
| SCHEMBL11032875 | 0.84 | FAAH (0.33) | — | |
| SCHEMBL11031327 | 0.84 | — | — | |
| SCHEMBL11031225 | 0.83 | — | — | |
| SCHEMBL11035027 | 0.80 | SMYD2 (0.30) | — | |
| SCHEMBL11180312 | 0.80 | KIF11 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4461727-A | PENICILLINS | BRISTOL-MYERS COMPANY (US) | 1984-07-24 | — | — | US | disclosed |
| US-4406834-A | ANTIBIOTICS | BRISTOL-MYERS COMPANY (US) | 1983-09-27 | — | — | US | disclosed |
| US-4378314-A | FOR PENICILLINS AND CEPHALOSPORINS | BRISTOL MYERS COMPANY (US) | 1983-03-29 | — | — | US | disclosed |
| US-4374065-A | PENICILLINS, ANTIBIOTICS | BRISTOL-MYERS COMPANY (US) | 1983-02-15 | — | — | US | disclosed |
| US-4272437-A | PENICILLINS | BRISTOL-MYERS COMPANY (US) | 1981-06-09 | — | — | US | disclosed |