⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4866476 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL8060233 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL4869605 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL29049291 | 0.88 | — | — | |
| SCHEMBL4876248 | 0.88 | — | — | |
| Carbon Monoxide SCHEMBL888058 | 0.69 | — | — | |
| Carbon Monoxide SCHEMBL1374697 | 0.67 | — | — | |
| Carbon Monoxide SCHEMBL7088139 | 0.67 | — | — | |
| Carbon Monoxide SCHEMBL5693579 | 0.67 | — | — | |
| Carbon Monoxide SCHEMBL11325577 | 0.67 | — | — |
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 3 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 |
| US-4483943-A | Gas conversion catalysts | UOP INC. (US) | 1984-11-20 | — | — | US | disclosed |