⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9682597 | 0.70 | — | — | |
| SCHEMBL12952428 | 0.67 | CYP2A6 (0.33) | — | |
| SCHEMBL3057900 | 0.67 | MRGPRX4 (0.37) | — | |
| SCHEMBL9684263 | 0.61 | CYP2A6 (0.32) | — | |
| SCHEMBL12927041 | 0.60 | CYP2A6 (0.33) | — | |
| SCHEMBL9684290 | 0.59 | CA12 (0.33) | — | |
| SCHEMBL9684575 | 0.59 | ALDH1A1 (0.37) | — | |
| SCHEMBL9091998 | 0.58 | HTR2C (0.56) | — | |
| SCHEMBL9092789 | 0.58 | HTR7 (0.43) | — | |
| SCHEMBL15074596 | 0.57 | — | — |
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-0475187-A1 | Naphthothiophenimines for treating neuronal disorders caused by ischemia | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-03-18 | — | — | EP | disclosed |
| US-5064831-A | N-methyl-d-aspartate receptor antagonist | BRISTOL-MYERS SQUIBB CO. (US) | 1991-11-12 | — | — | US | disclosed |