⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2779760 | 0.83 | — | — | |
| SCHEMBL131476 | 0.83 | ALDH1A1 (0.74) | — | |
| SCHEMBL5948495 | 0.83 | ALDH1A1 (0.74) | — | |
| SCHEMBL3189950 | 0.80 | ALDH1A1 (0.70) | — | |
| SCHEMBL6939694 | 0.79 | ALDH1A1 (0.61) | — | |
| SCHEMBL9663006 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL1191256 | 0.76 | ALDH1A1 (0.63) | — | |
| SCHEMBL96641 | 0.76 | — | — | |
| SCHEMBL9210592 | 0.76 | — | — | |
| SCHEMBL96642 | 0.76 | — | — |
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-0784052-B1 | Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation | AVENTIS HOLDINGS INC (US) | 2004-09-01 | — | — | EP | disclosed |
| EP-0784052-A1 | Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1997-07-16 | — | — | EP | disclosed |
| US-4920131-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |
| US-4918081-A | Quinoline derivatives and use thereof as antagonists of leukotriene d4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-17 | — | — | US | disclosed |
| WO-1989012628-A1 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-12-28 | — | — | WO | disclosed |
| EP-0348155-A1 | Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1989-12-27 | — | — | EP | disclosed |