⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1455248 | 0.85 | — | — | |
| SCHEMBL7306750 | 0.83 | EPHX1 (0.41) | — | |
| SCHEMBL8045016 | 0.81 | EPHX1 (0.44) | — | |
| SCHEMBL77145 | 0.81 | EPHX1 (0.44) | — | |
| SCHEMBL7300515 | 0.81 | EPHX1 (0.44) | — | |
| SCHEMBL7312599 | 0.81 | EPHX1 (0.44) | — | |
| SCHEMBL969497 | 0.78 | — | — | |
| SCHEMBL107453 | 0.75 | MMP1 (0.41) | — | |
| SCHEMBL9308925 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL3770970 | 0.73 | PAOX (0.33) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558449-B1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-05 | — | — | EP | claimed |
| US-8586747-B2 | 3,3-dimethyl tetrahydroquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-11-19 | — | — | US | claimed |
| EP-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | claimed |
| US-20130023518-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | Hoffmann-La Roche Inc (US) | 2013-01-24 | — | — | US | claimed |
| US-8344137-B2 | 3,3-dimethyl tetrahydroquinoline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-01-01 | — | — | US | claimed |
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | claimed |
| US-20110257151-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HUA MEDICINE (KY) | 2011-10-20 | — | — | US | claimed |
| EP-2558449-B1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-05 | — | — | EP | disclosed |
| US-8586747-B2 | 3,3-dimethyl tetrahydroquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| US-20130023518-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | Hoffmann-La Roche Inc (US) | 2013-01-24 | — | — | US | disclosed |
| US-8344137-B2 | 3,3-dimethyl tetrahydroquinoline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-01-01 | — | — | US | disclosed |
| US-20110257151-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HUA MEDICINE (KY) | 2011-10-20 | — | — | US | disclosed |
| EP-1670786-A1 | QUINAZOLINE DERIVATIVES | Astrazeneca AB (SE) | 2006-06-21 | — | — | EP | disclosed |
| EP-1575926-A1 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | Almirall Prodesfarma, S.A. (ES) | 2005-09-21 | — | — | EP | disclosed |
| WO-2005030757-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-04-07 | — | — | WO | disclosed |
| WO-2004058729-A1 | NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES | ALMIRALL PRODESFARMA SA (ES) | 2004-07-15 | — | — | WO | disclosed |
| EP-0238357-B1 | 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE | Sankyo Company Limited (JP) | 1991-05-29 | — | — | EP | disclosed |
| US-4898862-A | 1,2,4-triazinone derivatives, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1990-02-06 | — | — | US | disclosed |
| EP-0238357-A2 | 1,2,4-Triazinone derivatives, their preparation and use | Sankyo Company Limited (JP) | 1987-09-23 | — | — | EP | disclosed |