⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1149072 | 0.92 | — | — | |
| SCHEMBL868792 | 0.79 | — | — | |
| SCHEMBL20267645 | 0.71 | — | — | |
| SCHEMBL619302 | 0.69 | — | — | |
| SCHEMBL10948770 | 0.64 | — | — | |
| Cyclohexene SCHEMBL8372845 | 0.63 | — | — | |
| SCHEMBL10829224 | 0.61 | GALR1 (0.36) | — | |
| Cyclohexene SCHEMBL28281964 | 0.60 | — | — | |
| SCHEMBL9780488 | 0.58 | ALDH1A1 (0.32) | — | |
| Cyclohexene SCHEMBL3005 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110281909-A1 | SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2011-11-17 | — | — | US | disclosed |
| EP-2215082-B1 | PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2011-09-21 | — | — | EP | disclosed |
| US-7884114-B2 | N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis | GLAXO GROUP LIMITED (GB) | 2011-02-08 | — | — | US | disclosed |
| US-20100216799-A1 | PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2010-08-26 | — | — | US | disclosed |
| US-20090270355-A1 | Compounds | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | US | disclosed |
| WO-2006130687-A2 | LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR | SCHERING CORPORATION (US) | 2006-12-07 | — | — | WO | disclosed |