⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL900563 | 0.77 | LPL (0.31) | — | |
| SCHEMBL18794947 | 0.77 | LPL (0.33) | — | |
| SCHEMBL30881090 | 0.76 | DGAT1 (0.33) | — | |
| SCHEMBL30443655 | 0.73 | — | — | |
| SCHEMBL15535670 | 0.73 | EGFR (0.33) | — | |
| SCHEMBL25211100 | 0.73 | — | — | |
| SCHEMBL22445287 | 0.72 | AAK1 (0.32) | — | |
| SCHEMBL18794974 | 0.71 | P2RX7 (0.30) | — | |
| SCHEMBL9438564 | 0.69 | SLC22A12 (0.37) | — | |
| SCHEMBL4540351 | 0.69 | PTPN11 (0.36) | — |
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-2025051148-A1 | NITROGEN-CONTAINING HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 北京鞍石生物科技股份有限公司 | 2025-03-13 | — | — | WO | disclosed |