⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6359428 | 1.00 | — | — | |
| SCHEMBL1396932 | 0.96 | — | — | |
| SCHEMBL23451893 | 0.93 | — | — | |
| SCHEMBL6797156 | 0.93 | — | — | |
| SCHEMBL1133394 | 0.89 | ALDH1A1 (0.30) | — | |
| SCHEMBL8653745 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL7466861 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL8511095 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL9644556 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL1629382 | 0.85 | ALDH1A1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110190523-A1 | HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES | FIRMENICH SA (CH) | 2011-08-04 | — | — | US | claimed |
| EP-2370207-A1 | HYDROGENATION OF ESTER, KETONE OR ALDEHYDE GROUPS WITH RUTHENIUM COMPLEXES HAVING A DI-AMINE AND A PHOSPHOROUS-NITROGEN BIDENTATE LIGAND | Firmenich S.A. (CH) | 2011-10-05 | — | — | EP | disclosed |
| US-20110190523-A1 | HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES | FIRMENICH SA (CH) | 2011-08-04 | — | — | US | disclosed |
| EP-2344276-A1 | HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES | Firmenich S.A. (CH) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010061350-A1 | HYDROGENATION OF ESTER, KETONE OR ALDEHYDE GROUPS WITH RUTHENIUM COMPLEXES HAVING A DI-AMINE AND A PHOSPHOROUS-NITROGEN BIDENTATE LIGAND | FIRMENICH SA (CH) | 2010-06-03 | — | — | WO | disclosed |
| WO-2010038209-A1 | HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES | FIRMENICH SA (CH) | 2010-04-08 | — | — | WO | disclosed |