⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4860847 | 0.63 | CHEK1 (0.36) | — | |
| SCHEMBL6712707 | 0.62 | — | — | |
| SCHEMBL536971 | 0.62 | LRRK2 (0.31) | — | |
| SCHEMBL536868 | 0.60 | — | — | |
| SCHEMBL11321959 | 0.60 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7176524 | 0.59 | LMNA (0.56) | — | |
| SCHEMBL3630347 | 0.59 | GDA (0.56) | — | |
| SCHEMBL3630345 | 0.59 | GDA (0.37) | — | |
| Benzene SCHEMBL672321 | 0.59 | LMNA (0.50) | — | |
| SCHEMBL28072459 | 0.57 | — | — |
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-0521463-A2 | Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-01-07 | — | — | EP | disclosed |