⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL916443 | 0.86 | SRD5A1 (0.56) | — | |
| SCHEMBL916468 | 0.82 | SRD5A1 (0.54) | — | |
| SCHEMBL7905878 | 0.81 | SRD5A1 (0.55) | — | |
| SCHEMBL8724708 | 0.81 | SRD5A1 (0.60) | — | |
| SCHEMBL8724712 | 0.81 | SRD5A1 (0.60) | — | |
| SCHEMBL7903642 | 0.80 | SRD5A1 (0.54) | — | |
| SCHEMBL916288 | 0.78 | SRD5A1 (0.52) | — | |
| SCHEMBL8927211 | 0.77 | — | — | |
| SCHEMBL8925171 | 0.77 | SRD5A1 (0.54) | — | |
| SCHEMBL917151 | 0.76 | SRD5A1 (0.54) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6204273-B1 | TREATMENT OF ANDROGENIC SENSITIVE DISORDERS SUCH AS ACNE VULGARIS, SEBORRHEA, FEMALE HIRSUTISM, MALE PATTERN BALDNESS, AND BENIGN PROSTATIC HYPERPLASIA. | MERCK & CO., INC. | 2001-03-20 | — | — | US | disclosed |
| US-5910497-A | 16-pyrazinyl-substituted-4-aza-androstane 5-α-reductase isozyme 1 inhibitors | MERCK & CO., INC. (US) | 1999-06-08 | — | — | US | disclosed |
| EP-0786999-A4 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO INC (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0724592-B1 | 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS | MERCK & CO INC (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5739137-A | 16-substituted-4-aza-3-oxo-androstane as 5-alpha-reductase isozyme 1 inhibitors | MERCK & CO., INC. (US) | 1998-04-14 | — | — | US | disclosed |
| US-5719158-A | 16-substituted-4-aza-androstane 5-alpha-reductase isozyme 1 inhibitors | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0786999-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-08-06 | — | — | EP | disclosed |
| EP-0724592-A1 | 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS | MERCK & CO. INC. (US) | 1996-08-07 | — | — | EP | disclosed |
| US-5543417-A | 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent | MERCK & CO., INC. (US) | 1996-08-06 | — | — | US | disclosed |
| WO-1996012487-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | disclosed |
| WO-1995011254-A1 | 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS | MERCK & CO., INC. (US) | 1995-04-27 | — | — | WO | disclosed |