SCHEMBL676577

SCHEMBL676577

CCC(=O)/C(C)=C/OC

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL676578 1.00
SCHEMBL811234 0.84
SCHEMBL811235 0.84
SCHEMBL9330650 0.78 ALDH1A1 (0.35)
SCHEMBL9330653 0.78 ALDH1A1 (0.35)
SCHEMBL11654422 0.77 ALDH1A1 (0.32)
SCHEMBL7171273 0.76 GAA (0.48)
SCHEMBL7171261 0.76 GAA (0.48)
SCHEMBL26713884 0.75 TDP1 (0.30)
Propane SCHEMBL17224456 0.75 APEX1 (0.33)

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230354808-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-11-09 US disclosed
US-9895346-B2 Applications of substituent benzyloxy group containing ether compounds for preparing antitumor drugs SINOCHEM CORPORATION (CN) 2018-02-20 US disclosed
US-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2017-10-19 US disclosed
US-20170233330-A1 Process for the preparation of 3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]-phenol SANDOZ AG (CH) 2017-08-17 US disclosed
US-9339037-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2016-05-17 US disclosed
US-9155312-B2 Fungicidal combinations of active ingredients BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-13 US disclosed
US-8957056-B2 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTIUTE FOR CANCER RESEARCH (US) 2015-02-17 US disclosed
US-8835693-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-09-16 US disclosed
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-01-09 US disclosed
US-8541342-B2 Fungicidal substance combinations BAYER CROPSCIENE AG (DE) 2013-09-24 US disclosed
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN PLANT HEALTH CARE, INC. 2010-07-29 US disclosed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 US disclosed
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-12 US disclosed
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 US disclosed
US-20070298966-A1 Fungicidal Combinations of Active Ingredients BAYERCROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070037852-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed
US-20070037783-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed
US-5292885-A Pyranone, process for its preparation, its use in the preparation of a new pyridinone and a process for the preparation of same ISOCHEM (FR) 1994-03-08 US disclosed