⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14419778 | 0.86 | LMNA (0.41) | — | |
| SCHEMBL7461587 | 0.82 | CA2 (0.52) | — | |
| SCHEMBL6494935 | 0.82 | PTGS2 (0.42) | — | |
| SCHEMBL14194264 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL13411813 | 0.78 | ADH5 (0.36) | — | |
| Sulfuric Acid SCHEMBL27754475 | 0.76 | BTK (0.40) | — | |
| SCHEMBL8824901 | 0.76 | PFKFB3 (0.30) | — | |
| SCHEMBL22497118 | 0.74 | SLC9A1 (0.42) | — | |
| SCHEMBL17254440 | 0.72 | ESR1 (0.33) | — | |
| SCHEMBL20743665 | 0.72 | NEK1 (0.50) | — |
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-0685478-B1 | QUINOLINE DERIVATIVES | UBE INDUSTRIES (JP) | 2001-10-24 | — | — | EP | claimed |
| US-5591752-A | LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE | UBE INDUSTRIES, LTD. (JP) | 1997-01-07 | — | — | US | claimed |
| EP-0685478-A1 | QUINOLINE DERIVATIVE | UBE INDUSTRIES, LTD. (JP) | 1995-12-06 | — | — | EP | claimed |
| EP-0685478-B1 | QUINOLINE DERIVATIVES | UBE INDUSTRIES (JP) | 2001-10-24 | — | — | EP | disclosed |
| US-5591752-A | LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE | UBE INDUSTRIES, LTD. (JP) | 1997-01-07 | — | — | US | disclosed |
| EP-0685478-A1 | QUINOLINE DERIVATIVE | UBE INDUSTRIES, LTD. (JP) | 1995-12-06 | — | — | EP | disclosed |