⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19121793 | 1.00 | — | — | |
| SCHEMBL15417357 | 1.00 | — | — | |
| SCHEMBL11851007 | 0.88 | TRPA1 (0.30) | — | |
| SCHEMBL548352 | 0.87 | — | — | |
| SCHEMBL13905513 | 0.87 | — | — | |
| SCHEMBL6366987 | 0.87 | — | — | |
| SCHEMBL14753018 | 0.87 | — | — | |
| SCHEMBL14771627 | 0.87 | — | — | |
| SCHEMBL9616664 | 0.86 | SHBG (0.46) | — | |
| SCHEMBL548207 | 0.84 | SHBG (0.42) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6002062-A | Process for the preparation of ethynylcyclopropane | LONZA AG (CH) | 1999-12-14 | — | — | US | claimed |
| US-20170001990-A1 | PIPERIDINE-DIONE DERIVATIVES | GENENTECH, INC. (US) | 2017-01-05 | — | — | US | disclosed |
| EP-1954683-B1 | 2-(PHENYL OR HETEROCYCLYL)-1H-PHENANTHRO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK CANADA INC (CA) | 2016-03-02 | — | — | EP | disclosed |
| US-20160016903-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| WO-2015140133-A1 | PIPERIDINE-DIONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-24 | — | — | WO | disclosed |
| EP-2789338-A2 | Condensed pyridine derivate and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2014-10-15 | — | — | EP | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| US-8329687-B2 | Pyridooxazepine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| US-8329687-B2 | Pyridooxazepine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| WO-2007059611-A1 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007059610-A1 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-05-31 | — | — | WO | disclosed |
| EP-0945445-B9 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARM CO LTD (JP) | 2005-12-28 | — | — | EP | disclosed |
| EP-0945445-B1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARM CO LTD (JP) | 2003-09-03 | — | — | EP | disclosed |
| US-6239131-B1 | WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| EP-0945445-A1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |
| US-5159070-A | Process for the preparation of derivative of 7-[(2-hydroxyimino)-acetamido]-cephalosporanic acid | ROUSSEL UCLAF (FR) | 1992-10-27 | — | — | US | disclosed |
| US-4596869-A | Pyridinyl and pyrimidinyl derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-06-24 | — | — | US | disclosed |
| US-4395411-A | ANTIBIOTICS; BACTERICIDES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-07-26 | — | — | US | disclosed |
| US-4267176-A | Amino or acylamino-substituted pyrimidinyl cephalosporanic acid derivatives and pharmaceutical compositions thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-05-12 | — | — | US | disclosed |