⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16774650 | 0.65 | — | — | |
| SCHEMBL12283650 | 0.62 | — | — | |
| SCHEMBL7574466 | 0.62 | — | — | |
| SCHEMBL6712052 | 0.61 | — | — | |
| SCHEMBL20759385 | 0.61 | — | — | |
| SCHEMBL29379795 | 0.50 | — | — | |
| SCHEMBL70047 | 0.50 | NOTUM (0.65) | — | |
| SCHEMBL6364128 | 0.48 | — | — | |
| SCHEMBL22362544 | 0.48 | TSHR (0.35) | — | |
| Acetic Acid SCHEMBL11439971 | 0.44 | FFAR3 (0.88) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0990645-B1 | NOVEL SULFONAMIDE DERIVATIVES | NIPPON KAYAKU KK (JP) | 2004-07-28 | — | — | EP | disclosed |
| US-6458960-B1 | ANTICANCER AGENTS, RHEUMATIC DISEASES AND ANTIINFLAMMATORY AGENTS | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2002-10-01 | — | — | US | disclosed |
| US-6180796-B1 | TUBULIN POLYMERIZATION INHIBITORS | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2001-01-30 | — | — | US | disclosed |
| EP-0990645-A1 | NOVEL SULFONAMIDE DERIVATIVES | Nippon Kayaku Kabushiki Kaisha (JP) | 2000-04-05 | — | — | EP | disclosed |