⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13859438 | 0.76 | CA1 (0.44) | — | |
| SCHEMBL13499 | 0.71 | — | — | |
| SCHEMBL1256668 | 0.69 | CES2 (0.36) | — | |
| SCHEMBL1454329 | 0.69 | — | — | |
| SCHEMBL1256758 | 0.69 | CA12 (0.38) | — | |
| SCHEMBL4008449 | 0.69 | — | — | |
| SCHEMBL1257838 | 0.67 | — | — | |
| Iodide SCHEMBL4049605 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL6560890 | 0.67 | — | — | |
| Fluoride SCHEMBL21816906 | 0.67 | CA1 (0.57) | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835476-B2 | Synthesis of novel antimicrobials | WU FAN (CA) | 2014-09-16 | — | — | US | disclosed |
| US-8822548-B2 | Compounds with activity at estrogen receptors | ACADIA PHARMACEUTICALS INC. (US) | 2014-09-02 | — | — | US | disclosed |
| US-8580821-B2 | Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety | HOFFMANN-LA ROCHE INC. (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130253201-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS | HOFFMANN-LA ROCHE INC. (US) | 2013-09-26 | — | — | US | disclosed |
| EP-2188266-B1 | Novel piperazine amide derivatives | HOFFMANN LA ROCHE (CH) | 2012-10-17 | — | — | EP | disclosed |
| US-8288541-B2 | Piperazine amide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-10-16 | — | — | US | disclosed |
| EP-1709046-B1 | P38 KINASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2011-07-27 | — | — | EP | disclosed |
| EP-2004605-B1 | PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-29 | — | — | EP | disclosed |
| US-20110105561-A1 | SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY | GRUNDSCHOBER CHRISTOPHE | 2011-05-05 | — | — | US | disclosed |
| US-20110105758-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS | BACHMANN STEPHAN | 2011-05-05 | — | — | US | disclosed |
| US-20060122278-A1 | di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene | ACADIA PHARMACEUTICALS INC. | 2006-06-08 | — | — | US | disclosed |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2006-02-23 | — | — | US | disclosed |
| EP-1618094-A1 | SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES | The Institutes for Pharmaceutical Discovery, LLC (US) | 2006-01-25 | — | — | EP | disclosed |
| US-20050256210-A1 | Compounds with activity at estrogen receptors | ACADIA PHARMACEUTICALS INC. | 2005-11-17 | — | — | US | disclosed |
| WO-2005108337-A2 | COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTOR | ACADIA PHARMACEUTICALS INC. (US) | 2005-11-17 | — | — | WO | disclosed |
| EP-1562934-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-08-17 | — | — | EP | disclosed |
| WO-2005073232-A1 | P38 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-08-11 | — | — | WO | disclosed |
| US-20050009817-A1 | Substituted heteroaryls | INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. | 2005-01-13 | — | — | US | disclosed |
| WO-2004099159-A1 | SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2004-11-18 | — | — | WO | disclosed |
| WO-2004046133-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-06-03 | — | — | WO | disclosed |