⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2143209 | 0.72 | — | — | |
| SCHEMBL9275517 | 0.72 | — | — | |
| SCHEMBL11586420 | 0.70 | — | — | |
| SCHEMBL11491528 | 0.70 | — | — | |
| SCHEMBL10749907 | 0.70 | GRIK1 (0.34) | — | |
| SCHEMBL12501945 | 0.69 | — | — | |
| SCHEMBL3767365 | 0.69 | — | — | |
| SCHEMBL9054363 | 0.69 | — | — | |
| SCHEMBL1646498 | 0.69 | — | — | |
| SCHEMBL251832 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2010038209-A1 | HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES | FIRMENICH SA (CH) | 2010-04-08 | — | — | WO | disclosed |