⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10041788 | 0.71 | — | — | |
| SCHEMBL21280289 | 0.58 | — | — | |
| SCHEMBL8167511 | 0.55 | — | — | |
| SCHEMBL14567723 | 0.54 | — | — | |
| SCHEMBL12663040 | 0.53 | — | — | |
| SCHEMBL15686508 | 0.53 | — | — | |
| SCHEMBL14441613 | 0.53 | ERBB2 (0.34) | — | |
| SCHEMBL22431288 | 0.52 | — | — | |
| SCHEMBL15905705 | 0.52 | CYP3A4 (0.36) | — | |
| SCHEMBL7888051 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8450374-B2 | Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal | UNIVERSITY OF DELAWARE (US) | 2013-05-28 | — | — | US | disclosed |
| US-20100331418-A1 | Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal | UNIVERSITY OF DELAWARE | 2010-12-30 | — | — | US | disclosed |