⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL443013 | 0.77 | — | — | |
| SCHEMBL5727176 | 0.76 | PTGER4 (0.32) | — | |
| SCHEMBL27708882 | 0.76 | — | — | |
| SCHEMBL7828217 | 0.75 | HTR1A (0.39) | — | |
| SCHEMBL622307 | 0.75 | — | — | |
| SCHEMBL3779653 | 0.75 | — | — | |
| SCHEMBL7817689 | 0.75 | HTR2C (0.39) | — | |
| SCHEMBL442555 | 0.74 | — | — | |
| SCHEMBL27676227 | 0.74 | — | — | |
| SCHEMBL27694742 | 0.74 | — | — |
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-1023287-B1 | 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS | PF MEDICAMENT (FR) | 2002-06-12 | — | — | EP | disclosed |
| US-6303603-B1 | FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA | PIERRE FABRE MEDICAMENT (FR) | 2001-10-16 | — | — | US | disclosed |