⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24568370 | 0.78 | NOS3 (0.34) | — | |
| SCHEMBL24338974 | 0.73 | — | — | |
| SCHEMBL4268199 | 0.69 | — | — | |
| SCHEMBL15614526 | 0.68 | PIK3CD (0.31) | — | |
| SCHEMBL20327615 | 0.67 | — | — | |
| SCHEMBL23974881 | 0.67 | — | — | |
| SCHEMBL28055737 | 0.67 | — | — | |
| SCHEMBL24191836 | 0.66 | — | — | |
| SCHEMBL12223585 | 0.64 | RNASEH1 (0.32) | — | |
| SCHEMBL9443499 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3148970-B1 | ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE | BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) | 2022-03-16 | — | — | EP | disclosed |
| WO-2012139891-A1 | SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER CROPSCIENCE AG (DE) | 2012-10-18 | — | — | WO | disclosed |