⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL355890 | 0.69 | — | — | |
| SCHEMBL15907977 | 0.65 | — | — | |
| SCHEMBL19542976 | 0.64 | — | — | |
| SCHEMBL12139950 | 0.61 | — | — | |
| SCHEMBL24307679 | 0.59 | LMNA (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL7247171 | 0.59 | HTR1A (0.32) | — | |
| SCHEMBL20034838 | 0.59 | HTR1A (0.32) | — | |
| SCHEMBL16284415 | 0.57 | — | — | |
| SCHEMBL8744971 | 0.57 | — | — | |
| SCHEMBL20034983 | 0.57 | HTR1A (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1317461-B1 | 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES | SCHERING CORP (US) | 2004-11-03 | — | — | EP | disclosed |
| EP-1317461-A1 | 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES | SCHERING CORPORATION (US) | 2003-06-11 | — | — | EP | disclosed |
| US-6509472-B2 | For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols | SCHERING CORPORATION | 2003-01-21 | — | — | US | disclosed |
| WO-2002022623-A1 | 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES | SCHERING CORPORATION (US) | 2002-03-21 | — | — | WO | disclosed |