⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1055321 | 0.72 | — | — | |
| SCHEMBL5712009 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL338658 | 0.69 | — | — | |
| SCHEMBL4100051 | 0.69 | — | — | |
| SCHEMBL5323293 | 0.69 | — | — | |
| SCHEMBL3333539 | 0.67 | — | — | |
| SCHEMBL9803758 | 0.67 | — | — | |
| SCHEMBL4644967 | 0.67 | — | — | |
| SCHEMBL31270720 | 0.67 | — | — | |
| SCHEMBL10886642 | 0.67 | — | — |
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-4351766-A | Production of penicillins | BRISTOL-MYERS COMPANY (US) | 1982-09-28 | — | — | US | disclosed |
| US-4310458-A | PRODUCTION OF AMOXYCILLIN AND AMPICILLIN | BRISTOL-MYERS COMPANY (US) | 1982-01-12 | — | — | US | disclosed |
| US-4278600-A | CARBONATION, ACID ACCEPTORS, SILATION | BRISTOL-MYERS COMPANY (US) | 1981-07-14 | — | — | US | disclosed |
| US-4240960-A | INTERMEDIATE | BRISTOL-MYERS COMPANY (US) | 1980-12-23 | — | — | US | disclosed |