⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27978057 | 0.72 | XIAP (0.38) | — | |
| SCHEMBL3780127 | 0.67 | BRPF1 (0.43) | — | |
| SCHEMBL4930097 | 0.63 | DHFR (0.45) | — | |
| SCHEMBL2632836 | 0.61 | PDE3B (0.41) | — | |
| SCHEMBL24197705 | 0.60 | HTR2C (0.34) | — | |
| SCHEMBL30278027 | 0.60 | GRM5 (0.38) | — | |
| SCHEMBL1649702 | 0.60 | — | — | |
| SCHEMBL28012718 | 0.60 | ADORA1 (0.33) | — | |
| SCHEMBL16479902 | 0.60 | GABRP (0.41) | — | |
| SCHEMBL15538133 | 0.59 | NOS2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101484457-B | 4, 5-dihydro- [1,2,4] triazolo [4,3-f ] pteridines as protein kinase PLK1 inhibitors for the treatment of proliferative disorders | VERTEX PHARMA | 2014-09-03 | — | — | CN | disclosed |