⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17383857 | 0.77 | — | — | |
| SCHEMBL381096 | 0.75 | — | — | |
| SCHEMBL20613247 | 0.74 | — | — | |
| SCHEMBL21669694 | 0.72 | — | — | |
| SCHEMBL21737411 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9327519 | 0.69 | EPHX1 (0.35) | — | |
| SCHEMBL22593467 | 0.67 | — | — | |
| SCHEMBL22174668 | 0.67 | — | — | |
| SCHEMBL18559600 | 0.67 | — | — | |
| SCHEMBL1919928 | 0.65 | — | — |
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-2824102-B1 | Androgen receptor modulators and uses thereof | ARAGON PHARMACEUTICALS INC (US) | 2017-02-01 | — | — | EP | disclosed |