⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13465028 | 1.00 | — | — | |
| SCHEMBL14342170 | 0.87 | — | — | |
| SCHEMBL9613627 | 0.87 | — | — | |
| SCHEMBL13464848 | 0.87 | — | — | |
| SCHEMBL14255167 | 0.87 | — | — | |
| SCHEMBL9613646 | 0.87 | — | — | |
| SCHEMBL13901001 | 0.87 | — | — | |
| SCHEMBL13465003 | 0.84 | — | — | |
| SCHEMBL12327972 | 0.83 | — | — | |
| SCHEMBL14393381 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646703-B1 | LIQUID-CRYSTAL MEDIUM CONTAINING MONOFLUOROTERPHENYL COMPOUNDS | MERCK PATENT GMBH (DE) | 2010-03-17 | — | — | EP | disclosed |
| EP-1373175-B1 | 2,4'-SUBSTITUTED 6-CYCLOHEXYL-TRANS-DECALINES | MERCK PATENT GMBH (DE) | 2009-07-08 | — | — | EP | disclosed |