⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21501 | 0.74 | — | — | |
| SCHEMBL27526976 | 0.71 | MAPT (0.30) | — | |
| SCHEMBL27626269 | 0.70 | CYP2D6 (0.30) | — | |
| SCHEMBL12488069 | 0.68 | — | — | |
| SCHEMBL23181453 | 0.68 | — | — | |
| SCHEMBL30572434 | 0.68 | — | — | |
| SCHEMBL7135080 | 0.68 | — | — | |
| SCHEMBL3293899 | 0.68 | MAPT (0.42) | — | |
| SCHEMBL5119229 | 0.68 | CYP3A4 (0.32) | — | |
| SCHEMBL9281136 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0158923-B1 | CHROME DERIVATIVES | BEECHAM GROUP PLC (GB) | 1991-11-13 | — | — | EP | disclosed |
| US-4616021-A | HYPOTENSIVE AGENTS | BEECHAM GROUP P.L.C. (GB) | 1986-10-07 | — | — | US | disclosed |
| EP-0158923-A2 | Chrome derivatives | BEECHAM GROUP PLC (GB) | 1985-10-23 | — | — | EP | disclosed |