⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8220411 | 0.93 | LPAR3 (0.47) | — | |
| SCHEMBL3332214 | 0.91 | LPAR3 (0.50) | — | |
| SCHEMBL8220810 | 0.91 | LPAR3 (0.50) | — | |
| SCHEMBL16242411 | 0.91 | LPAR3 (0.50) | — | |
| SCHEMBL1416536 | 0.91 | LPAR3 (0.50) | — | |
| SCHEMBL311772 | 0.86 | — | — | |
| SCHEMBL9246275 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL766967 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL28601376 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL23797510 | 0.79 | ATM (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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9556158-B2 | Fungicidal 3-[(pyridin-2-ylmethoxyimino)(phenyl)methyl]-2-substituted-1,2,4-oxadiazol-5(2H)-one derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-01-31 | — | — | US | disclosed |
| EP-3055288-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2016101118-A1 | AMIDOETHYL AZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-30 | — | — | WO | disclosed |
| WO-2016101119-A1 | FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-30 | — | — | WO | disclosed |
| WO-2016095204-A1 | PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016095205-A1 | HETEROARYL OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016086357-A1 | METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | WO | disclosed |
| WO-2016086358-A1 | HYDROXYMETHYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | WO | disclosed |
| WO-2016065586-A1 | PYRAZOLE, TRIAZOLE AND TETRAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-05-06 | — | — | WO | disclosed |
| WO-2016065585-A1 | PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-05-06 | — | — | WO | disclosed |
| US-9090600-B2 | Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-07-28 | — | — | US | disclosed |
| WO-2015051725-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |
| US-20140350058-A1 | FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-11-27 | — | — | US | disclosed |
| US-20140349848-A1 | FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-11-27 | — | — | US | disclosed |
| EP-2079479-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | disclosed |
| EP-2797891-A1 | FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES | Bayer Intellectual Property GmbH (DE) | 2014-11-05 | — | — | EP | disclosed |
| WO-2013098147-A1 | FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-04 | — | — | WO | disclosed |
| WO-2011002807-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2011-01-06 | — | — | WO | disclosed |
| WO-2010036551-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2009082697-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2009-07-02 | — | — | WO | disclosed |