⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22784325 | 0.80 | GRM1 (0.38) | — | |
| SCHEMBL9053628 | 0.74 | CYP2C19 (0.35) | — | |
| SCHEMBL7434996 | 0.70 | — | — | |
| SCHEMBL592719 | 0.69 | — | — | |
| SCHEMBL22784173 | 0.65 | — | — | |
| SCHEMBL9050123 | 0.65 | CHRM2 (0.36) | — | |
| SCHEMBL28435415 | 0.65 | CYP2C19 (0.38) | — | |
| SCHEMBL22784287 | 0.65 | ALDH1A1 (0.48) | — | |
| SCHEMBL5242716 | 0.64 | PKM (0.39) | — | |
| SCHEMBL22784730 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091397-A | Cognition activators | BEECHAM GROUP P.L.C. (GB) | 1992-02-25 | — | — | US | disclosed |
| EP-0363085-A2 | Novel compounds | BEECHAM GROUP PLC (GB) | 1990-04-11 | — | — | EP | disclosed |