⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1934134 | 0.86 | TSHR (0.36) | — | |
| SCHEMBL3995603 | 0.79 | TAAR1 (0.43) | — | |
| SCHEMBL3996025 | 0.74 | TRPA1 (0.32) | — | |
| SCHEMBL873359 | 0.74 | CHRNB2 (0.41) | — | |
| SCHEMBL13808489 | 0.70 | KCNH2 (0.31) | — | |
| SCHEMBL993356 | 0.69 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL3588207 | 0.68 | HCAR3 (0.36) | — | |
| SCHEMBL13909297 | 0.67 | CPT1B (0.41) | — | |
| SCHEMBL11737432 | 0.66 | PGR (0.33) | — | |
| SCHEMBL587682 | 0.66 | TAAR1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9206219-B2 | 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-12-08 | — | — | US | disclosed |
| US-20120258941-A1 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-10-11 | — | — | US | disclosed |
| EP-2456780-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011009534-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-27 | — | — | WO | disclosed |
| EP-0422100-B1 | 11 BETA-SUBSTITUTED PROGESTERONE ANALOGS | RES TRIANGLE INST (US) | 1997-03-12 | — | — | EP | disclosed |
| EP-0422100-A4 | — | — | 1994-04-27 | — | — | EP | disclosed |
| US-5073548-A | Antiprogestational, progestational and antiglucocorticoid activity; glandular disorders; vision defects; antifertility agents | RESEARCH TRIANGLE INSTITUTE (US) | 1991-12-17 | — | — | US | disclosed |
| EP-0422100-A1 | 11-g(b)-SUBSTITUTED PROGESTERONE ANALOGS. | RES TRIANGLE INST (US) | 1991-04-17 | — | — | EP | disclosed |
| US-4954490-A | HORMONE INHIBITORS | RESEARCH TRIANGLE INSTITUTE (US) | 1990-09-04 | — | — | US | disclosed |
| WO-1989012448-A1 | 11beta-SUBSTITUTED PROGESTERONE ANALOGS | RESEARCH TRIANGLE INSTITUTE (US) | 1989-12-28 | — | — | WO | disclosed |