⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29692746 | 0.94 | — | — | |
| SCHEMBL14405202 | 0.85 | — | — | |
| SCHEMBL16499895 | 0.85 | — | — | |
| SCHEMBL29946386 | 0.84 | KDM4E (0.35) | — | |
| SCHEMBL1532336 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL29692763 | 0.80 | — | — | |
| SCHEMBL15417969 | 0.80 | — | — | |
| SCHEMBL29946363 | 0.77 | — | — | |
| SCHEMBL4381110 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL9003153 | 0.76 | KDM4E (0.32) | — |
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-0266729-A2 | Aqueous silicone dispersions | WACKER-CHEMIE GMBH (DE) | 1988-05-11 | — | — | EP | disclosed |