⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22639 | 0.84 | CA2 (0.39) | — | |
| SCHEMBL81363 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL1068807 | 0.81 | CA2 (0.32) | — | |
| SCHEMBL25395691 | 0.80 | — | — | |
| SCHEMBL4278497 | 0.80 | — | — | |
| SCHEMBL19133536 | 0.78 | — | — | |
| SCHEMBL19405588 | 0.78 | — | — | |
| SCHEMBL18527600 | 0.74 | — | — | |
| SCHEMBL6557391 | 0.71 | CNR2 (0.35) | — | |
| SCHEMBL21497368 | 0.70 | ALDH1A1 (0.43) | — |
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 2 patents. 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 |
| CN-117561258-A | Novel substituted tricyclic aza heterocycles as SOS1 inhibitors | 唯久生物技术(苏州)有限公司 | 2024-02-13 | — | — | CN | disclosed |