⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4915411 | 0.87 | NFE2L2 (0.40) | — | |
| SCHEMBL16619798 | 0.84 | HRH3 (0.33) | — | |
| SCHEMBL2553274 | 0.82 | SIGMAR1 (0.37) | — | |
| SCHEMBL6387627 | 0.82 | HTR2A (0.33) | — | |
| SCHEMBL129003 | 0.81 | — | — | |
| SCHEMBL129266 | 0.79 | HTR2A (0.31) | — | |
| SCHEMBL129217 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL6177818 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL11254475 | 0.75 | CYP1A2 (0.48) | — | |
| SCHEMBL129852 | 0.75 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0606393-A1 | TOPICAL OPHTHALMIC COMPOSITIONS COMPRISING 4-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXY)-1,2,5-THIADIAZOLES AND METHODS FOR THEIR USE | ALCON LABORATORIES, INC. (US) | 1994-07-20 | — | — | EP | claimed |
| WO-1993006827-A1 | TOPICAL OPHTHALMIC COMPOSITIONS COMPRISING 4-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXY)-1,2,5-THIADIAZOLES AND METHODS FOR THEIR USE | ALCON LABORATORIES, INC. (US) | 1993-04-15 | — | — | WO | claimed |
| US-20190292194-A1 | INHIBITORS OF ERK AND METHODS OF USE | KURA ONCOLOGY, INC. | 2019-09-26 | — | — | US | disclosed |
| US-10301317-B2 | Inhibitors of ERK and methods of use | KURA ONCOLOGY, INC. (US) | 2019-05-28 | — | — | US | disclosed |
| US-20180237444-A1 | INHIBITORS OF ERK AND METHODS OF USE | KURA ONCOLOGY, INC. | 2018-08-23 | — | — | US | disclosed |
| EP-3363800-A1 | HETEROCYCLIC INHIBITORS OF ERK AND METHODS OF USE | Kura Oncology, Inc. (US) | 2018-08-22 | — | — | EP | disclosed |
| US-9951078-B2 | Inhibitors of ERK and methods of use | KURA ONCOLOGY, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| EP-3052096-B1 | INHIBITORS OF ERK AND METHODS OF USE | KURA ONCOLOGY INC (US) | 2018-01-17 | — | — | EP | disclosed |
| US-20170226110-A1 | INHIBITORS OF ERK AND METHODS OF USE | KURA ONCOLOGY, INC. | 2017-08-10 | — | — | US | disclosed |
| US-9624228-B2 | Inhibitors of ERK and methods of use | KURA ONCOLOGY, INC. (US) | 2017-04-18 | — | — | US | disclosed |
| US-20160237091-A1 | INHIBITORS OF ERK AND METHODS OF USE | KURA ONCOLOGY, INC. | 2016-08-18 | — | — | US | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | 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 |