⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8767293 | 1.00 | — | — | |
| SCHEMBL8767286 | 1.00 | — | — | |
| SCHEMBL17831346 | 0.95 | — | — | |
| SCHEMBL16546419 | 0.86 | — | — | |
| SCHEMBL8768469 | 0.85 | USP5 (0.34) | — | |
| SCHEMBL8768465 | 0.85 | USP5 (0.34) | — | |
| SCHEMBL8768455 | 0.85 | USP5 (0.34) | — | |
| SCHEMBL8767030 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL13557300 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL12056080 | 0.83 | — | — |
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 |