⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21399105 | 0.89 | CHRNB2 (0.35) | — | |
| SCHEMBL24867076 | 0.83 | ABL1 (0.30) | — | |
| SCHEMBL21399329 | 0.81 | ENPP1 (0.32) | — | |
| SCHEMBL21388735 | 0.80 | KDM5A (0.37) | — | |
| SCHEMBL24866843 | 0.79 | KDM5A (0.39) | — | |
| SCHEMBL21398890 | 0.75 | HSD17B10 (0.31) | — | |
| SCHEMBL24866878 | 0.74 | PDE9A (0.38) | — | |
| SCHEMBL23173103 | 0.74 | CHRNB2 (0.43) | — | |
| SCHEMBL23173105 | 0.72 | PTPN11 (0.38) | — | |
| SCHEMBL24867055 | 0.72 | MAPT (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230010886-A1 | SHP2 INHIBITORS AND USES THEREOF | Suzhou Puhe BioPharma Co., Ltd. (CN) | 2023-01-12 | — | — | US | disclosed |
| US-10561655-B2 | SHP2 inhibitors and uses thereof | SYNBLIA THERAPEUTICS, INC. (US) | 2020-02-18 | — | — | US | disclosed |
| US-20190290649-A1 | SHP2 INHIBITORS AND USES THEREOF | Suzhou Puhe BioPharma Co., Ltd. (CN) | 2019-09-26 | — | — | US | disclosed |