⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL39265 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL16731965 | 0.88 | — | — | |
| SCHEMBL28960054 | 0.88 | — | — | |
| SCHEMBL4467731 | 0.88 | — | — | |
| Lithium Ion SCHEMBL6329671 | 0.88 | — | — | |
| SCHEMBL6329667 | 0.88 | — | — | |
| SCHEMBL7714711 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL15153246 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL20658916 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL105921 | 0.80 | ALDH1A1 (0.30) | — |
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-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 | claimed |
| 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 |