⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30853365 | 0.77 | BTK (0.39) | — | |
| SCHEMBL30853347 | 0.70 | JAK2 (0.42) | — | |
| SCHEMBL30853312 | 0.67 | PARP1 (0.31) | — | |
| SCHEMBL29168395 | 0.66 | CFTR (0.31) | — | |
| SCHEMBL29168332 | 0.63 | KDM4E (0.39) | — | |
| SCHEMBL30853352 | 0.62 | KDM4E (0.40) | — | |
| SCHEMBL29154699 | 0.60 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL30088605 | 0.56 | HTR6 (0.44) | — | |
| SCHEMBL30853351 | 0.56 | PARP1 (0.43) | — | |
| SCHEMBL23012193 | 0.55 | CYP11B1 (0.35) | — |
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 |