⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL375711 | 0.68 | — | — | |
| SCHEMBL150783 | 0.64 | — | — | |
| SCHEMBL5419351 | 0.62 | — | — | |
| SCHEMBL974598 | 0.62 | — | — | |
| SCHEMBL12985796 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL5693069 | 0.60 | — | — | |
| SCHEMBL19307781 | 0.58 | — | — | |
| SCHEMBL410409 | 0.57 | — | — | |
| SCHEMBL11025143 | 0.55 | — | — | |
| SCHEMBL18574404 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0421752-A2 | Substituted acrylamido-penicillanic acid derivatives | Beecham Group p.l.c. (GB) | 1991-04-10 | — | — | EP | claimed |