⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8047423 | 1.00 | — | — | |
| SCHEMBL8054407 | 0.93 | — | — | |
| SCHEMBL8054395 | 0.93 | — | — | |
| SCHEMBL8046286 | 0.92 | — | — | |
| SCHEMBL8046281 | 0.92 | — | — | |
| SCHEMBL8049226 | 0.89 | ALOX5 (0.33) | — | |
| SCHEMBL8049229 | 0.89 | ALOX5 (0.33) | — | |
| SCHEMBL8048667 | 0.89 | NPC1 (0.32) | — | |
| SCHEMBL8048664 | 0.89 | NPC1 (0.32) | — | |
| SCHEMBL8054237 | 0.88 | ALOX5 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643119-B1 | Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition | SUMITOMO CHEMICAL CO (JP) | 2000-04-26 | — | — | EP | disclosed |
| US-5707547-A | CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-01-13 | — | — | US | disclosed |
| EP-0643119-A1 | Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-03-15 | — | — | EP | disclosed |