⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9472776 | 0.81 | — | — | |
| SCHEMBL2224005 | 0.56 | — | — | |
| SCHEMBL89286 | 0.53 | — | — | |
| SCHEMBL27327274 | 0.50 | ALDH1A1 (0.33) | — | |
| SCHEMBL2107165 | 0.50 | — | — | |
| SCHEMBL6600564 | 0.50 | — | — | |
| SCHEMBL2108089 | 0.49 | — | — | |
| SCHEMBL8853909 | 0.46 | — | — | |
| SCHEMBL41660 | 0.46 | — | — | |
| SCHEMBL3620691 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1060187-B1 | S-SUBSTITUTED 11BETA-BENZALDOXIME-ESTRA-4,9-DIENE-CARBONIC ACID THIOLESTERS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS | SCHERING AG (DE) | 2003-04-16 | — | — | EP | claimed |
| US-6365582-B1 | FOR THERAPY ENDOMETRIOSIS, UTERUS MYOMATOSUS, DYSMENORRHEA, PREMENSTRUAL SYNDROME, FOR INDUCTION OF REVERSIBLE AMENORRHEA WITHOUT ESTROGEN DEFICIT AND FOR MENOPAUSAL HORMONE REPLACEMENT THERAPY | JENAPHARM GMBH & CO. KG (DE) | 2002-04-02 | — | — | US | claimed |
| CN-102725302-A | 2'-fluoro-6'-methylene carbocyclic nucleosides and methods of treating viral infections | UNIV GEORGIA | 2012-10-10 | — | — | CN | disclosed |
| US-6365582-B1 | FOR THERAPY ENDOMETRIOSIS, UTERUS MYOMATOSUS, DYSMENORRHEA, PREMENSTRUAL SYNDROME, FOR INDUCTION OF REVERSIBLE AMENORRHEA WITHOUT ESTROGEN DEFICIT AND FOR MENOPAUSAL HORMONE REPLACEMENT THERAPY | JENAPHARM GMBH & CO. KG (DE) | 2002-04-02 | — | — | US | disclosed |