⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL982533 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL3829242 | 0.93 | — | — | |
| Water SCHEMBL29050203 | 0.93 | — | — | |
| SCHEMBL362862 | 0.82 | — | — | |
| SCHEMBL69943 | 0.74 | — | — | |
| SCHEMBL27799340 | 0.74 | — | — | |
| Boric Acid SCHEMBL25366209 | 0.71 | — | — | |
| Boric Acid SCHEMBL27915700 | 0.71 | — | — | |
| SCHEMBL10961685 | 0.71 | — | — | |
| SCHEMBL3889746 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110265717-A | High-voltage lithium ion battery electrolyte and its battery | 松山湖材料实验室 | 2019-09-20 | — | — | CN | claimed |
| CN-110265717-A | High-voltage lithium ion battery electrolyte and its battery | 松山湖材料实验室 | 2019-09-20 | — | — | CN | disclosed |
| CN-109153646-A | Pyridine dicarboxamide derivatives as bromine structural domain inhibitor | 葛兰素史克知识产权第二有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-108341739-A | A kind of alpha-aromatic, heteroaryl or alkenyl-α, the preparation method of alpha-difluoromethyl class compound | 中国科学院上海有机化学研究所 | 2018-07-31 | — | — | CN | disclosed |
| CN-106795171-A | Antibacterial basic biaromatic derivatives with aminoalkoxy substitution | 埃科特莱茵药品有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-103370827-B | Ionic compound, method for producing same, and electrolyte solution and electricity storage device using same | NIPPON SHOKUBAI CO.,LTD. (JP) | 2016-02-17 | — | — | CN | disclosed |
| CN-103370827-A | Ionic compound, method for producing same, and electrolyte solution and electricity storage device using same | NIPPON CATALYTIC CHEM IND | 2013-10-23 | — | — | CN | disclosed |