⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2406607 | 0.74 | HTR2B (0.36) | — | |
| SCHEMBL2571507 | 0.71 | HTR2C (0.45) | — | |
| SCHEMBL968179 | 0.67 | HTR2C (0.42) | — | |
| SCHEMBL22791667 | 0.66 | DRD2 (0.51) | — | |
| Hydrochloric Acid SCHEMBL967326 | 0.66 | HTR2C (0.41) | — | |
| SCHEMBL970312 | 0.65 | NOTUM (0.34) | — | |
| SCHEMBL22996563 | 0.63 | TSHR (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL967950 | 0.61 | HTR2C (0.37) | — | |
| SCHEMBL1290194 | 0.61 | PDE10A (0.42) | — | |
| SCHEMBL9163628 | 0.60 | PLAU (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5843951-A | Analgesic composition of pyrazolo(1,5-A) pyrimidines | OTSUKA PHARMACEUTICAL FACTORY INC. (JP) | 1998-12-01 | — | — | US | disclosed |
| EP-0795555-A1 | ANALGESICS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1997-09-17 | — | — | EP | disclosed |