⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28451162 | 0.96 | — | — | |
| SCHEMBL2183 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29775432 | 0.92 | — | — | |
| SCHEMBL28762904 | 0.92 | — | — | |
| Iodide SCHEMBL19458795 | 0.92 | — | — | |
| SCHEMBL5362590 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL557465 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL733044 | 0.92 | — | — | |
| Bromide SCHEMBL5488499 | 0.92 | — | — | |
| SCHEMBL11870550 | 0.92 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104254514-B | 4 ((substituted-phenyl) difluoromethyl) phenoxy carboxylic acid derivatives and its production and use | 浙江海正药业股份有限公司 | 2017-06-27 | — | — | CN | claimed |
| CN-108047115-A | Pyrrole amides derivative through acetaldehyde amide substitution and its as drug for treating the purposes of hepatitis B | 爱尔兰詹森科学公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-105431413-B | Glyoxylamide-substituted pyrrole amide derivatives and their use as medicaments for the treatment of hepatitis B | 爱尔兰詹森科学公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-105439933-B | A kind of preparation method of penem-like pharmaceutical mercaptan side chain | 北大方正集团有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-104254514-B | 4 ((substituted-phenyl) difluoromethyl) phenoxy carboxylic acid derivatives and its production and use | 浙江海正药业股份有限公司 | 2017-06-27 | — | — | CN | disclosed |
| CN-103373921-B | 4-((substituted-phenyl) difluoromethyl) phenoxy carboxylic acid derivant and preparation method thereof and medical usage | 浙江海正药业股份有限公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-104672148-A | Compound used as food flavoring agent | LUO KAI | 2015-06-03 | — | — | CN | disclosed |
| CN-103664608-B | Crystal compound and application thereof | WEST CHINA HOSPITAL SICHUAN UNIV | 2015-04-08 | — | — | CN | disclosed |
| CN-103781751-A | Diphenyl substituted cyclohexane derivatives, useful as modulators of the estrogen receptors beta | ACADIA PHARM INC | 2014-05-07 | — | — | CN | disclosed |
| CN-103664608-A | Crystal compound and application thereof | WEST CHINA HOSPITAL SICHUAN UNIV | 2014-03-26 | — | — | CN | disclosed |
| CN-103373921-A | 4-((substituted phenyl) difluoromethyl) phenoxy carboxylic acid derivatives as well as preparation method and medical application for same | ZHEJIANG HISUN PHARM CO LTD | 2013-10-30 | — | — | CN | disclosed |
| CN-101679320-B | Process for preparing triazolones | HOFFMANN LA ROCHE | 2013-01-23 | — | — | CN | disclosed |
| CN-102050824-A | Piperazinoltriazole derivatives | SHANGHAI YANGFAN MEDICAL SCIENCE & TECHNOLOGY CO LTD | 2011-05-11 | — | — | CN | disclosed |
| CN-101679320-A | Process for preparing triazolones | HOFFMANN LA ROCHE | 2010-03-24 | — | — | CN | disclosed |