⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9179334 | 1.00 | — | — | |
| SCHEMBL9179327 | 1.00 | — | — | |
| SCHEMBL9179331 | 1.00 | — | — | |
| SCHEMBL17039353 | 0.85 | — | — | |
| SCHEMBL9174926 | 0.83 | — | — | |
| SCHEMBL9174917 | 0.83 | — | — | |
| SCHEMBL9305122 | 0.83 | — | — | |
| SCHEMBL9174911 | 0.83 | — | — | |
| SCHEMBL9174906 | 0.83 | — | — | |
| SCHEMBL9176701 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5288428-A | Liquid crystal compounds having a terminal alkoxy propenyl group | HOFFMANN-LA ROCHE INC. (US) | 1994-02-22 | — | — | US | disclosed |