⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11878388 | 0.93 | MAPK1 (0.36) | — | |
| SCHEMBL11599232 | 0.83 | MAPK1 (0.33) | — | |
| SCHEMBL12666595 | 0.78 | LMNA (0.43) | — | |
| SCHEMBL13536750 | 0.77 | — | — | |
| SCHEMBL15931246 | 0.76 | DNM1 (0.35) | — | |
| SCHEMBL13536762 | 0.76 | ACACB (0.31) | — | |
| SCHEMBL13538377 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL13536753 | 0.76 | ACACB (0.31) | — | |
| SCHEMBL5107546 | 0.74 | — | — | |
| SCHEMBL10788996 | 0.74 | CPB2 (0.30) | — |
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-2521707-B1 | BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS | BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) | 2017-06-14 | — | — | EP | disclosed |