⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4329869 | 1.00 | — | — | |
| SCHEMBL4329874 | 1.00 | — | — | |
| SCHEMBL4329866 | 1.00 | — | — | |
| SCHEMBL8736458 | 0.95 | CES2 (0.30) | — | |
| SCHEMBL7859003 | 0.95 | CES2 (0.30) | — | |
| SCHEMBL6459983 | 0.85 | — | — | |
| SCHEMBL6459987 | 0.85 | — | — | |
| SCHEMBL8446829 | 0.85 | ESR2 (0.32) | — | |
| SCHEMBL17827799 | 0.85 | CES2 (0.31) | — | |
| SCHEMBL2272516 | 0.83 | USP5 (0.37) | — |
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-0789067-A1 | Cyclopentyl derivatives useful as liquid crystals | Rolic AG (CH) | 1997-08-13 | — | — | EP | disclosed |