⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17226870 | 0.78 | — | — | |
| SCHEMBL792959 | 0.76 | — | — | |
| SCHEMBL5889008 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL17372329 | 0.76 | CA2 (0.40) | — | |
| SCHEMBL793127 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL793490 | 0.74 | CA2 (0.39) | — | |
| SCHEMBL6118715 | 0.73 | CA2 (0.38) | — | |
| SCHEMBL2075967 | 0.73 | NOS2 (0.47) | — | |
| SCHEMBL125453 | 0.73 | — | — | |
| SCHEMBL15277654 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-120004810-A | Trifluoroethyl thioether compound containing pyrimidyl amine | 湖南化工研究院有限公司 | 2025-05-16 | — | — | CN | claimed |
| US-20110059976-A1 | PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. | 2011-03-10 | — | — | US | disclosed |
| US-7767687-B2 | Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors | BIOGEN IDEC MA INC. (US) | 2010-08-03 | — | — | US | disclosed |