⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30529350 | 0.70 | PDK2 (0.33) | — | |
| SCHEMBL29723169 | 0.64 | MAPK1 (0.32) | — | |
| SCHEMBL845575 | 0.63 | PDXK (0.34) | — | |
| SCHEMBL15691417 | 0.63 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL20529749 | 0.62 | MAPK1 (0.31) | — | |
| SCHEMBL1981722 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL13058645 | 0.60 | CDK1 (0.36) | — | |
| SCHEMBL31058073 | 0.58 | CHEK1 (0.35) | — | |
| SCHEMBL19631427 | 0.56 | — | — | |
| SCHEMBL29819493 | 0.55 | FGFR1 (0.32) | — |
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-117263942-A | SHP2 phosphatase inhibitors and methods of use thereof | 传达治疗有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-112166110-B | SHP2 phosphatase inhibitors and methods of use thereof | 传达治疗有限公司 | 2023-08-11 | — | — | CN | disclosed |