⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14844526 | 1.00 | — | — | |
| SCHEMBL8400472 | 0.80 | ESR2 (0.31) | — | |
| SCHEMBL14844304 | 0.76 | — | — | |
| SCHEMBL14850603 | 0.76 | — | — | |
| SCHEMBL13307126 | 0.74 | — | — | |
| SCHEMBL13390654 | 0.74 | — | — | |
| SCHEMBL13420162 | 0.73 | GLB1 (0.34) | — | |
| SCHEMBL10721746 | 0.68 | TBXAS1 (0.49) | — | |
| SCHEMBL10721738 | 0.68 | TBXAS1 (0.49) | — | |
| SCHEMBL19000150 | 0.67 | CHRNB2 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090534-B2 | Selective hydrogenation of aldehyde with ru/bidentate ligands complexes | FIREMENICH SA (CH) | 2015-07-28 | — | — | US | disclosed |
| US-9090534-B2 | Selective hydrogenation of aldehyde with ru/bidentate ligands complexes | FIREMENICH SA (CH) | 2015-07-28 | — | — | US | disclosed |
| US-20140243526-A1 | SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES | FIRMENICH SA (CH) | 2014-08-28 | — | — | US | disclosed |
| US-20140243526-A1 | SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES | FIRMENICH SA (CH) | 2014-08-28 | — | — | US | disclosed |
| WO-2013050297-A1 | SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES | FIRMENICH SA (CH) | 2013-04-11 | — | — | WO | disclosed |