⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6810164 | 0.74 | — | — | |
| SCHEMBL2616821 | 0.73 | — | — | |
| Trimethylammonium SCHEMBL1411855 | 0.67 | — | — | |
| SCHEMBL173143 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL7953164 | 0.67 | LMNA (0.50) | — | |
| Methane Boronic Acid SCHEMBL80533 | 0.65 | — | — | |
| SCHEMBL587269 | 0.65 | — | — | |
| Benzene SCHEMBL4006464 | 0.64 | CA1 (0.30) | — | |
| SCHEMBL6436118 | 0.63 | — | — | |
| SCHEMBL20376089 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230322776-A1 | NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-10-12 | — | — | US | disclosed |
| US-8394828-B2 | Quinoline-derived amide modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA, NV (BE) | 2013-03-12 | — | — | US | disclosed |
| US-7589091-B2 | 2(R)-Benzyloxymethyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-N-hydroxy-3(S)-(4-methoxy-phenyl)-4-oxo-butyramide; inhibiting matrix metalloproteinase; immunosuppression; neuropathic pain | NOVARTIS AG (CH) | 2009-09-15 | — | — | US | disclosed |
| US-20080300236-A1 | QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR | CODD ELLEN | 2008-12-04 | — | — | US | disclosed |