⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1928970 | 1.00 | — | — | |
| SCHEMBL986628 | 0.90 | OPRM1 (0.34) | — | |
| SCHEMBL989317 | 0.90 | DPP4 (0.37) | — | |
| SCHEMBL988739 | 0.90 | DPP4 (0.37) | — | |
| SCHEMBL897563 | 0.90 | OPRM1 (0.34) | — | |
| SCHEMBL897562 | 0.90 | OPRM1 (0.34) | — | |
| SCHEMBL988738 | 0.90 | DPP4 (0.37) | — | |
| SCHEMBL16362467 | 0.89 | KDM4E (0.40) | — | |
| SCHEMBL17207724 | 0.89 | IRAK4 (0.33) | — | |
| SCHEMBL12385846 | 0.89 | KDM4E (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023098825-A1 | SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 勤浩医药（苏州）有限公司 | 2023-06-08 | — | — | WO | disclosed |