SCHEMBL1109976

SCHEMBL1109976

[C]#CC(C)Br

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
SCHEMBL2199 0.70
SCHEMBL11838677 0.67
SCHEMBL181237 0.64
SCHEMBL379983 0.64
SCHEMBL7522302 0.64
SCHEMBL967131 0.64
SCHEMBL5177635 0.64
SCHEMBL4226099 0.64
SCHEMBL7517082 0.64
SCHEMBL10404492 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023190286-A1 PEST CONTROLLING AGENT 日本化薬株式会社 2023-10-05 WO disclosed
WO-2022259985-A1 PEST CONTROLLING AGENT 日本化薬株式会社 2022-12-15 WO disclosed
US-11377415-B2 Method for converting N,N-dialkylamide compound into ester compound using complex of fourth-period transition metal as catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-07-05 US disclosed
EP-3760607-A1 METHOD FOR CONVERTING N,N-DIALKYLAMIDE COMPOUND INTO ESTER COMPOUND USING COMPLEX OF FOURTH-PERIOD TRANSITION METAL AS CATALYST Takasago International Corporation (JP) 2021-01-06 EP disclosed
US-20200399200-A1 METHOD FOR CONVERTING N,N-DIALKYLAMIDE COMPOUND INTO ESTER COMPOUND USING COMPLEX OF FOURTH-PERIOD TRANSITION METAL AS CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-12-24 US disclosed
US-10231454-B2 Fungicidal or bactericidal composition, and method for controlling diseases NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-03-19 US disclosed
US-20180220655-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-08-09 US disclosed
US-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-24 US disclosed
US-9974305-B2 Fungicidal or bactericidal composition, and method for controlling diseases NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-20170188580-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-06 US disclosed
US-6166088-A CONTROLLING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-6071912-A INHIBIT HUMAN FACTOR XA AND ARE THEREFORE USEFUL AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY; AMINO-, OXY- AND THIA-SUBSTITUTED TRIAZINES BERLEX LABORATORIES, INC. (US) 2000-06-06 US disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0888271-A4 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2000-03-15 EP disclosed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
EP-0888271-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1999-01-07 EP disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 WO disclosed
EP-0189774-B1 PROCESS FOR PRODUCTION OF N,N-DISUBSTITUTED CARBOXYLIC ACID AMIDES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-04-12 EP disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed