⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10360010 | 0.79 | — | — | |
| SCHEMBL3265077 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL2315794 | 0.72 | — | — | |
| SCHEMBL463143 | 0.72 | — | — | |
| SCHEMBL2025361 | 0.72 | — | — | |
| SCHEMBL7611194 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL5586092 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL9451397 | 0.70 | TSHR (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL3045398 | 0.70 | — | — | |
| SCHEMBL2018319 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5565588-A | 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing said steroids | ROUSSEL UCLAF (FR) | 1996-10-15 | — | — | US | claimed |
| EP-0263569-B1 | 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. | ROUSSEL-UCLAF (FR) | 1992-12-09 | — | — | EP | claimed |
| WO-1988002753-A2 | 9-ALPHA-HYDROXY STEROIDS AND PROCESS FOR THEIR PREPARATION | GIST-BROCADES N.V. (NL) | 1988-04-21 | — | — | WO | claimed |
| US-5565588-A | 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing said steroids | ROUSSEL UCLAF (FR) | 1996-10-15 | — | — | US | disclosed |
| US-5352809-A | 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids | GIST-BROCADES N.V. (NL) | 1994-10-04 | — | — | US | disclosed |
| EP-0263569-B1 | 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. | ROUSSEL-UCLAF (FR) | 1992-12-09 | — | — | EP | disclosed |