⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1176799 | 0.83 | — | — | |
| SCHEMBL4755684 | 0.65 | — | — | |
| SCHEMBL14215771 | 0.65 | — | — | |
| SCHEMBL123412 | 0.65 | — | — | |
| SCHEMBL2028133 | 0.65 | — | — | |
| SCHEMBL1340249 | 0.65 | — | — | |
| SCHEMBL5000639 | 0.65 | — | — | |
| SCHEMBL2862352 | 0.63 | KDM4E (0.40) | — | |
| Water SCHEMBL2873089 | 0.63 | — | — | |
| SCHEMBL7121422 | 0.60 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103450112-B | A kind of nitrogenous five member ring heterocyclic compound that N- bridging connects and its preparation and purposes | 华东理工大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-103450112-A | N-bridge connected nitrogenous five-membered heterocyclic compound and preparation and application thereof | UNIV EAST CHINA SCIENCE & TECH | 2013-12-18 | — | — | CN | disclosed |
| EP-2493303-A1 | 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | Merck Sharp & Dohme Corp. (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20120214847-A1 | 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2012-08-23 | — | — | US | disclosed |
| US-20120214847-A1 | 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2012-08-23 | — | — | US | disclosed |
| US-20120214847-A1 | 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2012-08-23 | — | — | US | disclosed |
| WO-2011053574-A1 | 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F] INDAZOL-5-YL] ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2011-05-05 | — | — | WO | disclosed |
| WO-2011053574-A1 | 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F] INDAZOL-5-YL] ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. (US) | 2011-05-05 | — | — | WO | disclosed |
| US-20090270363-A1 | 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof | WYETH (US) | 2009-10-29 | — | — | US | disclosed |
| US-20090270363-A1 | 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof | WYETH (US) | 2009-10-29 | — | — | US | disclosed |
| US-20090270363-A1 | 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof | WYETH (US) | 2009-10-29 | — | — | US | disclosed |
| WO-2009120826-A1 | 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF | WYETH (US) | 2009-10-01 | — | — | WO | disclosed |
| US-7517995-B2 | Thiazolyl-dihydro-cyclopentapyrazole | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-14 | — | — | US | disclosed |
| US-7517995-B2 | Thiazolyl-dihydro-cyclopentapyrazole | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-14 | — | — | US | disclosed |
| WO-2007115931-A1 | THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-18 | — | — | WO | disclosed |
| US-20070238730-A1 | THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-11 | — | — | US | disclosed |
| US-20070238730-A1 | THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-11 | — | — | US | disclosed |