⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7619791 | 1.00 | — | — | |
| SCHEMBL16943611 | 1.00 | — | — | |
| SCHEMBL23028386 | 0.77 | — | — | |
| SCHEMBL18784133 | 0.73 | — | — | |
| SCHEMBL8225235 | 0.73 | — | — | |
| SCHEMBL19351412 | 0.73 | — | — | |
| SCHEMBL23343745 | 0.73 | — | — | |
| SCHEMBL17297754 | 0.73 | — | — | |
| SCHEMBL12225771 | 0.72 | — | — | |
| SCHEMBL13177718 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0880540-B1 | 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE | AVENTIS PHARMA INC (US) | 2002-06-12 | — | — | EP | disclosed |
| US-6365597-B1 | FOR THERAPY OF ANDROGEN AND ESTROGEN MEDIATED DISORDERS, INCLUDING BENIGN PROSTATIC HYPERPLASIA, ANDROGEN MEDIATED PROSTATE CANCER, ESTROGEN MEDIATED BREAST CANCER AND ACNE | AVENTIS PHARMACEUTICALS INC. | 2002-04-02 | — | — | US | disclosed |