⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15717508 | 0.79 | — | — | |
| SCHEMBL2421745 | 0.67 | — | — | |
| SCHEMBL4760848 | 0.64 | — | — | |
| SCHEMBL12164737 | 0.58 | — | — | |
| SCHEMBL17925802 | 0.56 | — | — | |
| SCHEMBL14198622 | 0.54 | TRPA1 (0.30) | — | |
| SCHEMBL3230560 | 0.54 | — | — | |
| SCHEMBL28646602 | 0.53 | TRPA1 (0.33) | — | |
| SCHEMBL15121189 | 0.53 | — | — | |
| SCHEMBL18885093 | 0.53 | — | — |
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-0906294-B1 | BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS | WARNER LAMBERT CO (US) | 2003-01-29 | — | — | EP | disclosed |
| US-6177422-B1 | ANTIPSYCHOTIC AGENT WITH REDUCED SIDE EFFECTS | WARNER-LAMBERT COMPANY | 2001-01-23 | — | — | US | disclosed |