⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24221648 | 1.00 | NPSR1 (0.37) | — | |
| SCHEMBL19012246 | 1.00 | — | — | |
| SCHEMBL12838113 | 1.00 | — | — | |
| SCHEMBL18494027 | 0.93 | NPSR1 (0.34) | — | |
| SCHEMBL3787105 | 0.91 | POLB (0.38) | — | |
| SCHEMBL22313529 | 0.89 | SMYD3 (0.40) | — | |
| SCHEMBL3449442 | 0.89 | EPHX2 (0.42) | — | |
| SCHEMBL8224071 | 0.89 | EPHX2 (0.42) | — | |
| SCHEMBL18052223 | 0.86 | MMP1 (0.32) | — | |
| SCHEMBL19871738 | 0.85 | GABRP (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110065676-A1 | COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS | SCHERING CORPORATION (US) | 2011-03-17 | — | — | US | disclosed |
| WO-2008074403-A2 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2008-06-26 | — | — | WO | disclosed |
| EP-1500657-B1 | Substituted pyrazoles as P38 kinase inhibitors | SEARLE LLC (US) | 2007-09-19 | — | — | EP | disclosed |