⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9712412 | 0.81 | SOS1 (0.36) | — | |
| SCHEMBL20975107 | 0.73 | ERN1 (0.30) | — | |
| SCHEMBL25637321 | 0.72 | ERN1 (0.33) | — | |
| SCHEMBL4746715 | 0.71 | ERN1 (0.35) | — | |
| SCHEMBL9712685 | 0.71 | SRC (0.41) | — | |
| SCHEMBL29344223 | 0.69 | SOS1 (0.33) | — | |
| SCHEMBL7272272 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL24264683 | 0.69 | KIF11 (0.39) | — | |
| SCHEMBL7932559 | 0.68 | CA1 (0.34) | — | |
| SCHEMBL9341658 | 0.68 | CYP2D6 (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 |
|---|---|---|---|---|---|---|---|
| US-20230151004-A1 | PYRIMIDOHETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF | D3 BIO (WUXI) CO., LTD (CN) | 2023-05-18 | — | — | US | disclosed |