⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28981565 | 0.85 | CYP3A4 (0.42) | — | |
| SCHEMBL8846146 | 0.83 | — | — | |
| SCHEMBL2592248 | 0.81 | CYP3A4 (0.39) | — | |
| SCHEMBL17688556 | 0.81 | — | — | |
| SCHEMBL464886 | 0.81 | — | — | |
| SCHEMBL7583219 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL7581070 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL14745750 | 0.79 | CYP3A4 (0.45) | — | |
| SCHEMBL7576053 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL2036556 | 0.78 | TDP1 (0.40) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646757-B | A kind of preparation method of cationic polymerization system and high degree of unsaturation isoolefin copolymers | 中国石油化工股份有限公司 | 2018-04-13 | — | — | CN | claimed |
| CN-105646757-A | Cationic polymerization system and preparation method of high-unsaturation-degree isoolefin copolymer | 中国石油化工股份有限公司 | 2016-06-08 | — | — | CN | claimed |
| EP-1200394-A4 | PROCESS FOR PREPARING ACIDS VIA ALPHA-CHLOROEPOXY ESTERS | SMITHKLINE BEECHAM CORP (US) | 2004-12-01 | — | — | EP | claimed |
| US-20040220424-A1 | Process for preparing acids via alpha-chloroepoxy esters | SMITHKLINE BEECHAM CORPORATION | 2004-11-04 | — | — | US | claimed |
| EP-1200394-A1 | PROCESS FOR PREPARING ACIDS VIA ALPHA-CHLOROEPOXY ESTERS | SmithKline Beecham Corporation (US) | 2002-05-02 | — | — | EP | claimed |
| WO-2001010822-A1 | PROCESS FOR PREPARING ACIDS VIA ALPHA-CHLOROEPOXY ESTERS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-02-15 | — | — | WO | claimed |
| CN-105646757-B | A kind of preparation method of cationic polymerization system and high degree of unsaturation isoolefin copolymers | 中国石油化工股份有限公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-105646757-A | Cationic polymerization system and preparation method of high-unsaturation-degree isoolefin copolymer | 中国石油化工股份有限公司 | 2016-06-08 | — | — | CN | disclosed |
| US-20100261933-A1 | METHOD FOR PREPARING CARBOXYLIC ACID COMPOUND | KOWA COMPANY, LTD. (JP) | 2010-10-14 | — | — | US | disclosed |
| EP-2003112-A1 | METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND | Kowa Company, Ltd. (JP) | 2008-12-17 | — | — | EP | disclosed |
| US-4233074-A | Photographic polyester film base with subbing layer containing phosphoric acid derivative | CIBA-GEIGY AKTIENGESELLSCHAFT (CH) | 1980-11-11 | — | — | US | disclosed |