⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9545381 | 0.94 | — | — | |
| SCHEMBL3488161 | 0.94 | — | — | |
| SCHEMBL8104748 | 0.88 | — | — | |
| Bromide SCHEMBL8898640 | 0.88 | — | — | |
| SCHEMBL3243495 | 0.88 | CA1 (0.75) | — | |
| SCHEMBL9704308 | 0.88 | — | — | |
| SCHEMBL16531901 | 0.88 | — | — | |
| SCHEMBL166 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL11125687 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL9603278 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125859-B1 | ESTRATRIENE DERIVATIVES AND THEIR USES AS 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS | ABBOTT PRODUCTS GMBH (DE) | 2013-05-15 | — | — | EP | disclosed |
| US-8080540-B2 | Therapeutically active triazoles and their use | ABBOTT PRODUCTS GMBH (DE) | 2011-12-20 | — | — | US | disclosed |
| EP-2125859-A2 | ESTRATRIENE DERIVATIVES AND THEIR USES AS 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS | Solvay Pharmaceuticals GmbH (DE) | 2009-12-02 | — | — | EP | disclosed |
| US-20080146531-A1 | Therapeutically Active Triazoles and Their Use | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-06-19 | — | — | US | disclosed |
| WO-2008034796-A2 | ESTRATRIENE DERIVATIVES AND THEIR USES AS 17BETA-HYDR0XYSTER0ID DEHYDROGENASE INHIBITORS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-03-27 | — | — | WO | disclosed |
| US-6120997-A | LIBRARY OF COMPOUNDS WHICH INHIBIT PROTEIN SYNTHESIS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2000-09-19 | — | — | US | disclosed |
| WO-1998030570-A1 | NUCLEIC ACID BINDERS HAVING AN HYDROXYAMINE MOTIF | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-07-16 | — | — | WO | disclosed |
| US-5552431-A | ANTICOAGULANTS | G. D. SEARLE & CO. (US) | 1996-09-03 | — | — | US | disclosed |
| US-5424334-A | Peptide mimetic compounds useful as platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1995-06-13 | — | — | US | disclosed |
| WO-1993012074-A1 | PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1993-06-24 | — | — | WO | disclosed |