⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14566659 | 0.77 | — | — | |
| SCHEMBL7262112 | 0.77 | — | — | |
| SCHEMBL4653435 | 0.77 | — | — | |
| SCHEMBL5301166 | 0.77 | — | — | |
| SCHEMBL16691533 | 0.76 | — | — | |
| SCHEMBL121208 | 0.76 | — | — | |
| SCHEMBL5305197 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL1824543 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL29990874 | 0.72 | AKR1B1 (0.31) | — | |
| SCHEMBL15493405 | 0.70 | KDM4E (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5614641-A | USING A PHOSPHINO-CONTAINING RUTHENIUM COMPLEX AS CATALYST | ELF AQUITAINE (FR) | 1997-03-25 | — | — | US | disclosed |
| EP-0648201-B1 | ENANTIOSELECTIVE HYDROGENATION OF THE CARBONYL BOND USING RUTHENIUM COMPLEXES WITH BIPHOSPHINE LIGANDS | ELF AQUITAINE (FR) | 1997-01-22 | — | — | EP | disclosed |
| EP-0648201-A1 | Enantioselective hydrogenation of the carbonyl bond using ruthenium complexes with biphosphine ligands. | ELF AQUITAINE (FR) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994001390-A1 | ENANTIOSELECTIVE CARBONYL GROUP HYDROGENATION METHOD USING RUTHENIUM/DIPHOSPHINE LIGAND COMPLEXES | ELF AQUITAINE (FR) | 1994-01-20 | — | — | WO | disclosed |