⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16216109 | 1.00 | — | — | |
| SCHEMBL13303035 | 0.88 | HTT (0.38) | — | |
| SCHEMBL723497 | 0.81 | HSD17B10 (0.41) | — | |
| SCHEMBL25845172 | 0.80 | — | — | |
| SCHEMBL15171905 | 0.78 | — | — | |
| SCHEMBL725089 | 0.78 | HSD17B10 (0.39) | — | |
| SCHEMBL4373347 | 0.78 | HSD17B10 (0.39) | — | |
| SCHEMBL17914309 | 0.78 | HSD17B10 (0.39) | — | |
| SCHEMBL17914307 | 0.78 | HSD17B10 (0.39) | — | |
| SCHEMBL8651797 | 0.78 | HSD17B10 (0.39) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104124470-B | High safety battery electrolyte solution | 中国科学院宁波材料技术与工程研究所 | 2017-05-03 | — | — | CN | claimed |
| US-20210032253-A1 | PYRAZOLO[1,5-A][1,3,5]TRIAZINE-2-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | JIANGSU HENGRUI MEDICINE CO., LTD. (CN) | 2021-02-04 | — | — | US | disclosed |
| US-9738642-B2 | Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-22 | — | — | US | disclosed |
| CN-104124470-B | High safety battery electrolyte solution | 中国科学院宁波材料技术与工程研究所 | 2017-05-03 | — | — | CN | disclosed |
| US-20160237081-A1 | TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS | BRISTOL MYERS SQUIBB CO (US) | 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 |
| US-20110098471-A1 | OXAZOLIDINONE DERIVATIVE HAVING FUSED RING | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2011-04-28 | — | — | US | 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 |