⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6629632 | 0.74 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL27828547 | 0.74 | LTA4H (0.50) | — | |
| SCHEMBL27589827 | 0.73 | CHRNB2 (0.51) | — | |
| SCHEMBL14334241 | 0.72 | LTA4H (0.47) | — | |
| SCHEMBL27884428 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL27731073 | 0.71 | S1PR4 (0.48) | — | |
| SCHEMBL3377453 | 0.70 | KMT2A (0.44) | — | |
| SCHEMBL4659282 | 0.70 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL8983349 | 0.69 | MKNK1 (0.42) | — | |
| SCHEMBL8554512 | 0.69 | CHRNB4 (0.63) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2004627-A2 | 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007120600-A2 | 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |