⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80644 | 0.81 | — | — | |
| SCHEMBL8321071 | 0.74 | — | — | |
| SCHEMBL4570865 | 0.73 | — | — | |
| SCHEMBL9409041 | 0.71 | — | — | |
| SCHEMBL940750 | 0.71 | — | — | |
| SCHEMBL4579835 | 0.70 | — | — | |
| SCHEMBL9410930 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9004875 | 0.69 | — | — | |
| SCHEMBL5010902 | 0.69 | — | — | |
| SCHEMBL9527845 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7709516-B2 | Helix 12 directed non-steroidal antiandrogens | ENDORECHERCHE, INC. (CA) | 2010-05-04 | — | — | US | disclosed |