⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14528313 | 1.00 | — | — | |
| SCHEMBL310233 | 1.00 | — | — | |
| SCHEMBL310232 | 1.00 | — | — | |
| SCHEMBL5918859 | 1.00 | — | — | |
| SCHEMBL5918865 | 1.00 | — | — | |
| SCHEMBL5574712 | 1.00 | — | — | |
| SCHEMBL15423888 | 0.80 | — | — | |
| SCHEMBL3084845 | 0.79 | — | — | |
| SCHEMBL10578119 | 0.78 | PPARA (0.31) | — | |
| SCHEMBL10578124 | 0.78 | PPARA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851211-A2 | MICHAEL ADDITION PRODUCT AND SCHIFF'S BASE AROMACHEMICALS | Flexitral, Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| US-20060204462-A1 | Michael addition product and Schiff's base aromachemicals | TURIN LUCA | 2006-09-14 | — | — | US | disclosed |
| WO-2006085049-A2 | MICHAEL ADDITION PRODUCT AND SCHIFF'S BASE AROMACHEMICALS | FLEXITRAL, INC. (US) | 2006-08-17 | — | — | WO | disclosed |