⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7166264 | 0.88 | DAPK3 (0.31) | — | |
| SCHEMBL6754824 | 0.72 | ELANE (0.30) | — | |
| SCHEMBL218666 | 0.61 | GDA (0.34) | — | |
| SCHEMBL218669 | 0.61 | MGMT (0.45) | — | |
| Bromide SCHEMBL8165615 | 0.61 | MGMT (0.44) | — | |
| Benzene SCHEMBL8024450 | 0.60 | MGMT (0.43) | — | |
| SCHEMBL5694084 | 0.52 | DNMT1 (0.37) | — | |
| SCHEMBL3302482 | 0.52 | POLB (0.40) | — | |
| SCHEMBL11052846 | 0.49 | — | — | |
| Acetone SCHEMBL28276755 | 0.47 | LMNA (0.52) | — |
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 |