⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22485318 | 0.68 | HSD11B1 (0.32) | — | |
| SCHEMBL13291925 | 0.60 | NPC1 (0.32) | — | |
| SCHEMBL24880106 | 0.58 | — | — | |
| SCHEMBL22484672 | 0.57 | — | — | |
| SCHEMBL22485043 | 0.57 | — | — | |
| SCHEMBL22485319 | 0.57 | — | — | |
| SCHEMBL23653038 | 0.56 | ALDH1A1 (0.30) | — | |
| SCHEMBL12344036 | 0.56 | GAA (0.34) | — | |
| SCHEMBL1901173 | 0.55 | KDM4E (0.38) | — | |
| SCHEMBL24631325 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10696678-B2 | Kinase inhibitor, and preparing method and pharmaceutical use thereof | GAN & LEE PHARMACEUTICALS (CN) | 2020-06-30 | — | — | US | disclosed |