⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2229712 | 0.87 | CA2 (0.32) | — | |
| SCHEMBL30538381 | 0.80 | CA2 (0.32) | — | |
| SCHEMBL21925223 | 0.73 | MME (0.32) | — | |
| SCHEMBL2235368 | 0.73 | GRM2 (0.33) | — | |
| SCHEMBL26597300 | 0.72 | GPR84 (0.34) | — | |
| SCHEMBL16553590 | 0.71 | — | — | |
| SCHEMBL28904103 | 0.70 | ALOX5 (0.37) | — | |
| SCHEMBL206796 | 0.70 | ALOX5 (0.37) | — | |
| SCHEMBL2231744 | 0.70 | GRM2 (0.32) | — | |
| SCHEMBL9106841 | 0.69 | ACE2 (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344443-B1 | USE OF COMPOUNDS AS PLASTICIZER FOR PVC | HANWHA CHEMICAL CORP (KR) | 2019-09-18 | — | — | EP | claimed |
| US-8299292-B2 | Method of preparing of 60% or more CIS-DI(C4-C20)alkyl cyclohexane-1,4-dicarboxylate | HANWHA CHEMICAL CORPORATION (KR) | 2012-10-30 | — | — | US | claimed |
| US-20110263770-A1 | Method of Preparing of 60% or More CIS-DI(C4-C20)Alkyl Cyclohexane-1,4-Dicarboxylate | HANWHA CHEMICAL CORPORATION (KR) | 2011-10-27 | — | — | US | claimed |
| EP-2344443-B1 | USE OF COMPOUNDS AS PLASTICIZER FOR PVC | HANWHA CHEMICAL CORP (KR) | 2019-09-18 | — | — | EP | disclosed |
| US-20130053492-A1 | Polyvinylchloride Composition with a DI(C4-C20)Alkyl Cyclohexane-1,4-Dicarboxylate Having High CIS Content | HANWHA CHEMICAL CORPORATION (KR) | 2013-02-28 | — | — | US | disclosed |
| US-8299292-B2 | Method of preparing of 60% or more CIS-DI(C4-C20)alkyl cyclohexane-1,4-dicarboxylate | HANWHA CHEMICAL CORPORATION (KR) | 2012-10-30 | — | — | US | disclosed |
| US-20110263770-A1 | Method of Preparing of 60% or More CIS-DI(C4-C20)Alkyl Cyclohexane-1,4-Dicarboxylate | HANWHA CHEMICAL CORPORATION (KR) | 2011-10-27 | — | — | US | disclosed |
| EP-2344443-A2 | METHOD OF PREPARING OF 60% OR MORE CIS-DI(C4-C20)ALKYL CYCLOHEXANE-1,4-DICARBOXYLATE | Hanwha Chemical Corporation (KR) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010044638-A2 | METHOD OF PREPARING OF 60% OR MORE CIS-DI(C4-C20)ALKYL CYCLOHEXANE-1,4-DICARBOXYLATE | HANWHA CHEMICAL CORPORATION (KR) | 2010-04-22 | — | — | WO | disclosed |