⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7997362 | 1.00 | — | — | |
| SCHEMBL7993691 | 0.83 | — | — | |
| SCHEMBL8322097 | 0.83 | — | — | |
| SCHEMBL8322648 | 0.83 | — | — | |
| SCHEMBL8003681 | 0.83 | — | — | |
| SCHEMBL8009032 | 0.83 | MMP12 (0.31) | — | |
| SCHEMBL8005939 | 0.83 | MMP12 (0.31) | — | |
| SCHEMBL7993633 | 0.82 | SRD5A1 (0.37) | — | |
| SCHEMBL8326345 | 0.82 | SRD5A1 (0.37) | — | |
| SCHEMBL8139822 | 0.81 | SRD5A1 (0.46) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858455-A4 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO INC (US) | 2000-04-12 | — | — | EP | claimed |
| EP-0858455-A1 | 4-OXA AND 4-THIA STEROIDS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | claimed |
| WO-1997015564-A1 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO., INC. (US) | 1997-05-01 | — | — | WO | claimed |
| EP-0858455-A4 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO INC (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5998464-A | 4-Oxa and 4-thia steroids | MERCK & CO., INC. (US) | 1999-12-07 | — | — | US | disclosed |
| US-5932559-A | Treatment of hyperandrogenic conditions | MERCK & CO., INC. (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0858455-A1 | 4-OXA AND 4-THIA STEROIDS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5777134-A | 4-oxa and 4-thia steriods | MERCK & CO., INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5756480-A | Treatment of hyperandrogenic conditions | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1997015564-A1 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO., INC. (US) | 1997-05-01 | — | — | WO | disclosed |