⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3699944 | 0.83 | NR3C1 (0.32) | — | |
| SCHEMBL6381722 | 0.67 | — | — | |
| SCHEMBL4431838 | 0.66 | CASR (0.48) | — | |
| SCHEMBL3817477 | 0.63 | NR3C1 (0.45) | — | |
| SCHEMBL3825739 | 0.62 | AAK1 (0.31) | — | |
| SCHEMBL21728189 | 0.47 | — | — | |
| SCHEMBL10170766 | 0.46 | AR (0.33) | — | |
| SCHEMBL14113527 | 0.46 | AR (0.33) | — | |
| SCHEMBL23682614 | 0.44 | AR (0.33) | — | |
| SCHEMBL9907229 | 0.44 | AR (0.33) | — |
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-2121670-A2 | SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS | Bausch & Lomb Incorporated (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088969-A2 | SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS | BAUSCH & LOMB INCORPORATED (US) | 2008-07-24 | — | — | WO | disclosed |