⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7238604 | 0.69 | F2 (0.32) | — | |
| SCHEMBL8444927 | 0.66 | CA1 (0.36) | — | |
| SCHEMBL9848985 | 0.65 | — | — | |
| SCHEMBL7770113 | 0.64 | PER2 (0.35) | — | |
| SCHEMBL20699455 | 0.59 | — | — | |
| SCHEMBL24658347 | 0.58 | P2RX7 (0.39) | — | |
| SCHEMBL14381065 | 0.58 | BRD4 (0.42) | — | |
| SCHEMBL7246666 | 0.58 | ALOX5 (0.35) | — | |
| SCHEMBL1830394 | 0.55 | L3MBTL1 (0.38) | — | |
| SCHEMBL10416543 | 0.54 | PER2 (0.42) | — |
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-0414351-A1 | Composite particle dispersion | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-27 | — | — | EP | disclosed |