⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11790012 | 0.97 | ALDH1A1 (0.36) | — | |
| SCHEMBL2404760 | 0.75 | — | — | |
| SCHEMBL8432443 | 0.72 | — | — | |
| SCHEMBL14594113 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL11229957 | 0.69 | — | — | |
| SCHEMBL2559392 | 0.69 | — | — | |
| SCHEMBL1268188 | 0.68 | — | — | |
| SCHEMBL10581957 | 0.67 | — | — | |
| SCHEMBL9359989 | 0.67 | — | — | |
| SCHEMBL1259769 | 0.67 | — | — |
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-7893102-B2 | Fluoroalkoxy-substituted 1,3-dihydro-isoindolyl compounds and their pharmaceutical uses | CELGENE CORPORATION (US) | 2011-02-22 | — | — | US | disclosed |
| US-20090143382-A1 | FLUOROALKOXY-SUBSTITUTED 1,3-DIHYDRO-ISOINDOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USES | CELGENE CORPORATION | 2009-06-04 | — | — | US | disclosed |
| EP-0329073-B1 | 2-Substituted carbonylimidazo[4,5-c]quinolines | SHIONOGI & CO (JP) | 1994-12-28 | — | — | EP | disclosed |