⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9736041 | 0.69 | — | — | |
| SCHEMBL28528142 | 0.67 | — | — | |
| SCHEMBL1448500 | 0.62 | — | — | |
| SCHEMBL8841041 | 0.60 | — | — | |
| SCHEMBL4542505 | 0.60 | — | — | |
| SCHEMBL27830046 | 0.60 | — | — | |
| SCHEMBL31099348 | 0.59 | — | — | |
| SCHEMBL11882437 | 0.57 | — | — | |
| SCHEMBL4396752 | 0.57 | — | — | |
| SCHEMBL1100615 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5079372-A | Hydrogenation of dicarboxylic acid, dicarboxylic acid anhydride and/or dicarboxylic acid ester | MITSUBISHI KASEI CORPORATION (JP) | 1992-01-07 | — | — | US | disclosed |
| US-4931573-A | CATALYTIC HYDROGENATION OF DICARBOXYLIC ACID, ESTER OR ANHYDRIDE WITH RUTHENIUM, PHOSPHINES AND GROUPS 3,4,5 COMPOUNDS | MITSUBISHI KASEI CORPORATION (JP) | 1990-06-05 | — | — | US | disclosed |