⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7908633 | 0.87 | — | — | |
| SCHEMBL7900860 | 0.79 | — | — | |
| SCHEMBL7900864 | 0.79 | — | — | |
| SCHEMBL7900862 | 0.79 | — | — | |
| SCHEMBL7901155 | 0.78 | — | — | |
| SCHEMBL7901159 | 0.78 | — | — | |
| SCHEMBL7901157 | 0.78 | — | — | |
| SCHEMBL7910697 | 0.78 | MCL1 (0.50) | — | |
| SCHEMBL7900738 | 0.77 | MAOB (0.46) | — | |
| SCHEMBL7907965 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728128-B1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE POULENC RORER LTD (GB) | 1998-09-16 | — | — | EP | claimed |
| EP-0728128-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1996-08-28 | — | — | EP | claimed |
| WO-1995013262-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1995-05-18 | — | — | WO | claimed |
| US-6211234-B1 | BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID | RHONE-POULENC RORER LIMITED (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0728128-B1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE POULENC RORER LTD (GB) | 1998-09-16 | — | — | EP | disclosed |
| EP-0728128-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013262-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1995-05-18 | — | — | WO | disclosed |