⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11334528 | 0.77 | — | — | |
| SCHEMBL21067202 | 0.74 | — | — | |
| SCHEMBL3289117 | 0.74 | SORD (0.31) | — | |
| SCHEMBL1937023 | 0.73 | — | — | |
| SCHEMBL15264888 | 0.73 | — | — | |
| SCHEMBL465755 | 0.73 | — | — | |
| SCHEMBL4953533 | 0.73 | — | — | |
| SCHEMBL10919463 | 0.71 | GABRP (0.41) | — | |
| SCHEMBL13074624 | 0.69 | — | — | |
| SCHEMBL4594754 | 0.68 | SYK (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101268058-B | 4-phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives | MSD OSS BV | 2013-02-27 | — | — | CN | disclosed |
| CN-101242832-B | Fused pyrazole as p38 MAP kinase inhibitors | HOFFMANN LA ROCHE | 2011-08-10 | — | — | CN | disclosed |
| CN-101242832-A | Fused pyrazole as p38 MAP kinase inhibitors | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |