⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14964141 | 0.80 | — | — | |
| SCHEMBL12677372 | 0.76 | — | — | |
| SCHEMBL12474161 | 0.75 | — | — | |
| SCHEMBL13826138 | 0.74 | — | — | |
| SCHEMBL16366770 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL3067552 | 0.73 | ROCK2 (0.31) | — | |
| SCHEMBL18974708 | 0.73 | — | — | |
| SCHEMBL13896190 | 0.72 | CYP4F2 (0.32) | — | |
| SCHEMBL18974354 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL13065030 | 0.71 | ALDH1A1 (0.31) | — |
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-9388112-B2 | Bisphenol derivatives and their use as androgen receptor activity modulators | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2016-07-12 | — | — | US | disclosed |
| US-20130131167-A1 | BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2013-05-23 | — | — | US | disclosed |