⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10798364 | 0.83 | — | — | |
| SCHEMBL5059659 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL5059664 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL14270059 | 0.77 | — | — | |
| SCHEMBL14270063 | 0.77 | — | — | |
| SCHEMBL7903183 | 0.77 | — | — | |
| SCHEMBL2369042 | 0.77 | — | — | |
| SCHEMBL14294452 | 0.77 | — | — | |
| SCHEMBL4471531 | 0.76 | — | — | |
| Cyclohexanol SCHEMBL9064160 | 0.76 | TSHR (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1142858-B1 | PROCESS FOR PRODUCING ALIPHATIC ALDEHYDIC ACID AND/OR ALIPHATIC DICARBOXYLIC ACID | MITSUBISHI CHEM CORP (JP) | 2005-03-09 | — | — | EP | disclosed |
| US-6632964-B2 | Catalytic oxidation of a cyclic ketone | MITSUBISHI CHEMICAL CORPORATION (JP) | 2003-10-14 | — | — | US | disclosed |
| US-20020004609-A1 | Process for production of aliphatic aldehyde-acid and/or aliphatic dicarboxylic acid and catalyst for the production | MITSUBISHI CHEMICAL CORPORATION (JP) | 2002-01-10 | — | — | US | disclosed |
| EP-1142858-A1 | PROCESS FOR PRODUCING ALIPHATIC ALDEHYDIC ACID AND/OR ALIPHATIC DICARBOXYLIC ACID AND CATALYST FOR THE PRODUCTION | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-10-10 | — | — | EP | disclosed |