⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30853378 | 0.76 | NPC1 (0.35) | — | |
| SCHEMBL27186123 | 0.74 | PDE4B (0.35) | — | |
| SCHEMBL27186086 | 0.70 | JAK1 (0.35) | — | |
| SCHEMBL27186166 | 0.69 | PDE1A (0.32) | — | |
| SCHEMBL267782 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL31562732 | 0.67 | NPC1 (0.32) | — | |
| SCHEMBL27186126 | 0.67 | HSD17B10 (0.38) | — | |
| SCHEMBL31523597 | 0.66 | DGAT1 (0.35) | — | |
| SCHEMBL31480241 | 0.65 | NPC1 (0.40) | — | |
| SCHEMBL32687927 | 0.65 | DHODH (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117651701-A | Novel substituted bicyclic aza heterocycles as SOS1 inhibitors | 唯久生物技术(苏州)有限公司 | 2024-03-05 | — | — | CN | disclosed |