⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1028457 | 0.83 | CYP2C9 (0.50) | — | |
| SCHEMBL1074763 | 0.83 | — | — | |
| SCHEMBL22861877 | 0.75 | CYP1A2 (0.53) | — | |
| SCHEMBL3265543 | 0.73 | CYP19A1 (0.49) | — | |
| SCHEMBL25219425 | 0.72 | CYP1A2 (0.56) | — | |
| SCHEMBL25257831 | 0.71 | KCNK3 (0.46) | — | |
| SCHEMBL1467336 | 0.71 | LMNA (0.44) | — | |
| SCHEMBL3035703 | 0.70 | LMNA (0.56) | — | |
| SCHEMBL1075767 | 0.70 | CACNA1B (0.49) | — | |
| SCHEMBL1466023 | 0.69 | LMNA (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110071197-A1 | BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS | BIOLIPOX AB (LV) | 2011-03-24 | — | — | US | disclosed |
| EP-2274280-A2 | BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS | Biolipox AB (SE) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009127822-A2 | BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS | BIOLIPOX AB (SE) | 2009-10-22 | — | — | WO | disclosed |