⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12807381 | 0.93 | — | — | |
| SCHEMBL24799882 | 0.93 | — | — | |
| SCHEMBL10313579 | 0.93 | — | — | |
| SCHEMBL13464047 | 0.93 | — | — | |
| SCHEMBL13463950 | 0.91 | TLR4 (0.36) | — | |
| SCHEMBL9979800 | 0.91 | TLR4 (0.36) | — | |
| SCHEMBL12807325 | 0.91 | — | — | |
| SCHEMBL13464054 | 0.91 | — | — | |
| SCHEMBL13900973 | 0.91 | — | — | |
| SCHEMBL11893273 | 0.91 | — | — |
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 1 patent. 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 |