⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28024621 | 0.76 | — | — | |
| SCHEMBL4242 | 0.72 | — | — | |
| SCHEMBL2125310 | 0.72 | — | — | |
| SCHEMBL3820131 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL12987063 | 0.69 | — | — | |
| SCHEMBL15066795 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL3820731 | 0.69 | MEN1 (0.52) | — | |
| SCHEMBL4600235 | 0.69 | — | — | |
| SCHEMBL4044708 | 0.68 | — | — | |
| SCHEMBL1995730 | 0.68 | MAOB (0.43) | — |
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-1089988-B1 | FLUOROPHENYL RESIN COMPOUNDS | AVENTIS PHARMA INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1089988-A4 | FLUOROPHENYL RESIN COMPOUNDS | AVENTIS PHARM PROD INC (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1089988-A1 | FLUOROPHENYL RESIN COMPOUNDS | Aventis Pharmaceuticals Products Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067228-A1 | FLUOROPHENYL RESIN COMPOUNDS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-12-29 | — | — | WO | disclosed |