⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31483482 | 0.88 | — | — | |
| SCHEMBL4046783 | 0.84 | — | — | |
| Bicarbonate SCHEMBL6436739 | 0.81 | CA1 (0.39) | — | |
| Bicarbonate SCHEMBL5186944 | 0.81 | CA1 (0.39) | — | |
| Cyclohexene SCHEMBL1986964 | 0.77 | — | — | |
| Cyclopentene SCHEMBL8157049 | 0.77 | — | — | |
| Carbamic Acid SCHEMBL27514925 | 0.75 | ACHE (0.47) | — | |
| Acetic Acid SCHEMBL27640863 | 0.75 | FFAR3 (0.47) | — | |
| Propionic Acid SCHEMBL27511214 | 0.74 | FFAR3 (0.56) | — | |
| SCHEMBL5775012 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363868-B1 | METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF | BASF SE (DE) | 2017-11-01 | — | — | EP | disclosed |
| EP-1363868-A1 | METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2003-11-26 | — | — | EP | disclosed |
| EP-1363868-A1 | METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002066412-A1 | METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-29 | — | — | WO | disclosed |
| WO-2002066412-A1 | METHOD FOR PRODUCING CYCLOHEXANE DICARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-29 | — | — | WO | disclosed |