⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6853769 | 0.82 | — | — | |
| SCHEMBL7946836 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL15263370 | 0.64 | — | — | |
| SCHEMBL5534221 | 0.61 | ESR1 (0.33) | — | |
| SCHEMBL6853722 | 0.60 | — | — | |
| SCHEMBL2006965 | 0.58 | — | — | |
| SCHEMBL6853727 | 0.58 | — | — | |
| SCHEMBL5526583 | 0.58 | ESR1 (0.34) | — | |
| SCHEMBL12318646 | 0.58 | — | — | |
| SCHEMBL7986679 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6780855-B2 | TREATING A PATIENT SUFFERING FROM AN ESTROGEN DEPENDENT-DISEASE | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-08-24 | — | — | US | disclosed |
| US-6677324-B1 | MIXTURE INCLUDES 7A-(E-AMINOALKYL)-ESTRATRIENE; HORMONE REPLACEMENT THERAPY; MENOPAUSE | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-13 | — | — | US | disclosed |
| US-20030069434-A1 | 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | US | disclosed |
| US-6288051-B1 | ESTROGEN-DEPENDENT BREAST CANCER TREATMENT | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-09-11 | — | — | US | disclosed |
| US-6271403-B1 | PURE ANTIESTROGENS, OR ESTROGENIC ANTIESTROGENS WITH ESTROGENIC PARTIAL ACTION. | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-08-07 | — | — | US | disclosed |
| US-5986115-A | STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS | SCHERING AG (DE) | 1999-11-16 | — | — | US | disclosed |
| US-5866560-A | ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY | SCHERING AG (DE) | 1999-02-02 | — | — | US | disclosed |