⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12484238 | 0.72 | — | — | |
| SCHEMBL43449 | 0.64 | — | — | |
| SCHEMBL27774421 | 0.63 | — | — | |
| SCHEMBL4267614 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL30311830 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL23824763 | 0.60 | — | — | |
| SCHEMBL743280 | 0.60 | — | — | |
| SCHEMBL21622168 | 0.60 | — | — | |
| SCHEMBL14398824 | 0.60 | — | — | |
| SCHEMBL10625821 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105339355-A | Novel CYP17 inhibitor/antiandrogen | ORION CORP | 2016-02-17 | — | — | CN | disclosed |