⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL379457 | 0.71 | — | — | |
| SCHEMBL22371152 | 0.71 | — | — | |
| SCHEMBL11613512 | 0.68 | — | — | |
| SCHEMBL28947732 | 0.68 | — | — | |
| SCHEMBL4696091 | 0.68 | — | — | |
| SCHEMBL13850114 | 0.66 | — | — | |
| SCHEMBL17099928 | 0.64 | — | — | |
| SCHEMBL22171383 | 0.64 | — | — | |
| SCHEMBL9618037 | 0.63 | HSD11B1 (0.31) | — | |
| SCHEMBL21970725 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7670613-B2 | Androgen modulators | PFIZER INC. (US) | 2010-03-02 | — | — | US | disclosed |
| US-20100048517-A1 | ANDROGEN MODULATORS | PFIZER INC | 2010-02-25 | — | — | US | disclosed |
| EP-1781598-A1 | ANDROGEN MODULATORS | Warner-Lambert Company LLC (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006006065-A1 | ANDROGEN MODULATORS | WARNER-LAMBERT COMPANY LLC (US) | 2006-01-19 | — | — | WO | disclosed |
| US-20060009427-A1 | 4-(2-Cyano-cyclohexyloxy)-2-trifluoromethyl-benzonitrlle, a salt, or an isomer;selective androgen receptor modulators; decrease excess sebum secretions; stimulafnts of hair growth at higher rates of cosmetically acceptable hair growth in patients with alopecia; acne; skin disorders; prostate cancer | WARNER-LAMBERT COMPANY LLC | 2006-01-12 | — | — | US | disclosed |