⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28775457 | 0.72 | FFAR3 (0.39) | — | |
| SCHEMBL26617402 | 0.72 | — | — | |
| SCHEMBL28320525 | 0.69 | — | — | |
| SCHEMBL11565806 | 0.69 | — | — | |
| SCHEMBL2553763 | 0.69 | GABRP (0.46) | — | |
| SCHEMBL4592700 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL30615046 | 0.67 | — | — | |
| SCHEMBL6000306 | 0.67 | — | — | |
| SCHEMBL8100654 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL1803732 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |