⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL877968 | 0.51 | — | — | |
| SCHEMBL2395406 | 0.48 | — | — | |
| SCHEMBL13197717 | 0.42 | AHR (0.53) | — | |
| Calcium Chloride SCHEMBL5381230 | 0.40 | — | — | |
| SCHEMBL348913 | 0.38 | AHR (0.67) | — | |
| Calcium Chloride SCHEMBL23441478 | 0.36 | — | — | |
| Calcium Chloride SCHEMBL23803973 | 0.36 | — | — | |
| Calcium Chloride SCHEMBL22532692 | 0.36 | — | — | |
| Calcium Chloride SCHEMBL21751993 | 0.36 | — | — | |
| Calcium Chloride SCHEMBL19989728 | 0.36 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107793503-A | A kind of ultraviolet initiator and its synthetic method | 大连天源基化学有限公司 | 2018-03-13 | — | — | CN | claimed |
| CN-106431864-A | Method for synthesizing loxoprofen sodium medicine intermediate 1-p-methylphenyl-2-chlorine-1-acetone | 厦门安普顿信息科技有限公司 | 2017-02-22 | — | — | CN | claimed |
| CN-105481665-A | Method for synthesizing loxoprofen sodium medicine intermediate 1-p-methylphenyl-2-chloro-acetone | CHENGDU DONGDIAN AIER SCIENCE AND TECH CO LTD | 2016-04-13 | — | — | CN | claimed |
| CN-104447284-A | Synthetic method of 2-(4-bromomethyl phenyl) propionic acid | CHEER FINE PHARMACEUTICAL ANHUI CO LTD | 2015-03-25 | — | — | CN | claimed |
| CN-105461678-B | A kind of new process synthesizing 2- (4 ' -2-bromomethylphenyl) propionic acid intermediate ketal | 武汉工程大学 | 2019-01-18 | — | — | CN | disclosed |
| CN-105461678-B | A kind of new process synthesizing 2- (4 ' -2-bromomethylphenyl) propionic acid intermediate ketal | 武汉工程大学 | 2019-01-18 | — | — | CN | disclosed |
| CN-109134335-A | A kind of method preparing chiral (1R, 2S) -1- phenyl -2- (1- pyrrolidinyl) propane -1- alcohol | 苏州引航生物科技有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-107793503-A | A kind of ultraviolet initiator and its synthetic method | 大连天源基化学有限公司 | 2018-03-13 | — | — | CN | disclosed |
| CN-106431864-A | Method for synthesizing loxoprofen sodium medicine intermediate 1-p-methylphenyl-2-chlorine-1-acetone | 厦门安普顿信息科技有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105481665-A | Method for synthesizing loxoprofen sodium medicine intermediate 1-p-methylphenyl-2-chloro-acetone | CHENGDU DONGDIAN AIER SCIENCE AND TECH CO LTD | 2016-04-13 | — | — | CN | disclosed |
| CN-105461678-A | A novel process for synthesizing a ketal intermediate of 2-(4'-bromomethyl)phenylpropionic acid | WUHAN INST TECHNOLOGY | 2016-04-06 | — | — | CN | disclosed |
| CN-104447284-A | Synthetic method of 2-(4-bromomethyl phenyl) propionic acid | CHEER FINE PHARMACEUTICAL ANHUI CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-103012317-B | Alkyl phenyl derivative and application of alkyl phenyl derivative as photoinitiator | HUIZHOU HUAHONG NEW MATERIAL CO., LTD. (CN) | 2014-10-15 | — | — | CN | disclosed |
| CN-1102593-C | N-[4-(heteroarylmethyl) phenyl]-heteroarylamines | JANSSEN PHARMACEUTICA NV (BE) | 2003-03-05 | — | — | CN | disclosed |
| CN-1223654-A | N-[4-(heteroarylmethyl) phenyl]-heteroarylamines | JANSSEN PHARMACEUTICA NV (BE) | 1999-07-21 | — | — | CN | disclosed |
| EP-0321353-B1 | CRYPTATES OF RARE EARTHS, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES FOR THEIR SYNTHESIS AND THEIR USE AS FLUORESCENT LABELS | CIS BIO INTERNATIONAL (FR) | 1992-05-20 | — | — | EP | disclosed |
| WO-1989005813-A1 | RARE-EARTH CRYPTATES, PROCESSES FOR OBTAINING THEM, INTERMEDIATE SYNTHESIS PRODUCTS AND USE AS FLUORESCENT MARKERS | COMPAGNIE ORIS INDUSTRIE S.A. (FR) | 1989-06-29 | — | — | WO | disclosed |
| EP-0321353-A1 | Cryptates of rare earths, processes for their preparation, intermediates for their synthesis and their use as fluorescent labels | CIS BIO INTERNATIONAL (FR) | 1989-06-21 | — | — | EP | disclosed |