⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12835193 | 0.76 | — | — | |
| SCHEMBL21374484 | 0.76 | — | — | |
| SCHEMBL19502436 | 0.69 | — | — | |
| SCHEMBL21542490 | 0.62 | — | — | |
| SCHEMBL22476375 | 0.60 | NOS3 (0.31) | — | |
| SCHEMBL21066929 | 0.60 | — | — | |
| SCHEMBL20809962 | 0.59 | — | — | |
| SCHEMBL19023334 | 0.58 | — | — | |
| SCHEMBL8417041 | 0.58 | — | — | |
| SCHEMBL2958342 | 0.56 | — | — |
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-1762605-B1 | Naphthalene compound with terminal hydrogen, liquid crystal composition including the compound, and LCD device including the liquid crystal composition | CHISSO PETROCHEMICAL CORP (JP) | 2010-10-13 | — | — | EP | disclosed |