⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6449665 | 0.98 | — | — | |
| SCHEMBL27607829 | 0.77 | — | — | |
| SCHEMBL27596209 | 0.75 | — | — | |
| SCHEMBL4541614 | 0.75 | NOS3 (0.39) | — | |
| SCHEMBL21495018 | 0.75 | NOS3 (0.39) | — | |
| Bromide SCHEMBL6449317 | 0.73 | — | — | |
| SCHEMBL6446432 | 0.71 | TRIM24 (0.36) | — | |
| SCHEMBL13812485 | 0.69 | P2RX7 (0.31) | — | |
| SCHEMBL27940648 | 0.68 | — | — | |
| SCHEMBL30202366 | 0.67 | CYP2A6 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971597-A2 | N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS | GENELABS TECHNOLOGIES, INC. (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007070600-A2 | N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS | GENELABS TECHNOLOGIES, INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| EP-1583742-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| EP-1480976-A1 | THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-12-01 | — | — | EP | disclosed |
| WO-2004060870-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |
| WO-2003072577-A1 | THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-04 | — | — | WO | disclosed |