⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2478454 | 0.92 | TSHR (0.31) | — | |
| SCHEMBL2428874 | 0.85 | INPP5A (0.31) | — | |
| SCHEMBL1079543 | 0.83 | INPP5A (0.30) | — | |
| SCHEMBL1077748 | 0.83 | TSHR (0.34) | — | |
| SCHEMBL2467950 | 0.80 | INPP5A (0.36) | — | |
| SCHEMBL16551745 | 0.80 | INPP5A (0.36) | — | |
| SCHEMBL1079140 | 0.80 | MEN1 (0.37) | — | |
| SCHEMBL1078994 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL1079831 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL1079911 | 0.78 | GRM2 (0.32) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603982-B1 | PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES | BASF SE (DE) | 2017-01-25 | — | — | EP | disclosed |
| EP-2576674-B1 | PROCESS FOR MAKING EXPANDABLE COMPOSITIONS BASED ON STYRENEPOLYMER | BASF SE (DE) | 2014-08-27 | — | — | EP | disclosed |
| EP-2362861-B1 | USE OF CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR REMOVING DUST FROM CHEMICAL CONSTRUCTION PRODUCTS | CONSTR RES & TECH GMBH (DE) | 2014-05-07 | — | — | EP | disclosed |
| EP-2456840-B1 | ADHESIVES AND SEALANTS WHICH CONTAIN CYCLOHEXANE DICARBOXYLIC ACID ESTERS | BASF SE (DE) | 2013-07-17 | — | — | EP | disclosed |
| EP-2576674-A1 | METHOD FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS | BASF SE (DE) | 2013-04-10 | — | — | EP | disclosed |
| EP-2370374-B1 | USE OF POLYOLS AND CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR THE REMOVAL OF DUST FROM CHEMICAL CONSTRUCTION PRODUCTS | CONSTR RES & TECH GMBH (DE) | 2012-11-14 | — | — | EP | disclosed |
| EP-2456840-A1 | ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES | BASF SE (DE) | 2012-05-30 | — | — | EP | disclosed |
| EP-2373716-A1 | CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS | BASF SE (DE) | 2011-10-12 | — | — | EP | disclosed |
| WO-2011009672-A1 | ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES | BASF SE (DE) | 2011-01-27 | — | — | WO | disclosed |
| WO-2010063740-A1 | CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS | BASF SE (DE) | 2010-06-10 | — | — | WO | disclosed |
| EP-1472312-B1 | SINGLE PIECE CLOSURE DEVICE MADE OF PVC | BASF AG (DE) | 2006-11-15 | — | — | EP | disclosed |
| WO-2004098547-A1 | COSMETIC COMPOSITIONS COMPRISING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-18 | — | — | WO | disclosed |
| EP-1475071-A1 | Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-10 | — | — | EP | disclosed |
| EP-1472312-A1 | SINGLE PIECE CLOSURE DEVICE MADE OF PVC | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003064512-A1 | SINGLE PIECE CLOSURE DEVICE MADE OF PVC | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-07 | — | — | WO | disclosed |