⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26109420 | 0.92 | SLC6A2 (0.32) | — | |
| SCHEMBL7331916 | 0.81 | SLC6A2 (0.31) | — | |
| SCHEMBL13258720 | 0.81 | SLC6A2 (0.33) | — | |
| SCHEMBL10685237 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL8672544 | 0.73 | SLC6A2 (0.36) | — | |
| SCHEMBL14199364 | 0.73 | SLC6A2 (0.34) | — | |
| SCHEMBL13258721 | 0.73 | SLC6A2 (0.30) | — | |
| SCHEMBL8165780 | 0.71 | NPC1 (0.39) | — | |
| SCHEMBL7260010 | 0.71 | DAO (0.32) | — | |
| SCHEMBL12240506 | 0.71 | — | — |
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-6596885-B2 | As antiestrogenic and anti-proliferative agent | AVENTIS PHARMA S.A. (FR) | 2003-07-22 | — | — | US | disclosed |
| US-20020072624-A1 | New 19-Nor steroids having a thiocarbonated chain in position 11beta, their preparation process and the intermediates of this process, their use as medicaments and compositions | ROUSSEL UCLAF | 2002-06-13 | — | — | US | disclosed |
| US-6281204-B1 | ANTIESTROGENS | Roussel, Hoechst Marion (FR) | 2001-08-28 | — | — | US | disclosed |
| EP-0623140-B1 | NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS | HOECHST MARION ROUSSEL INC (FR) | 1998-04-22 | — | — | EP | disclosed |
| EP-0623140-A1 | NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS | ROUSSEL UCLAF (FR) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993013123-A1 | NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS | ROUSSEL-UCLAF (FR) | 1993-07-08 | — | — | WO | disclosed |