SCHEMBL4075630

SCHEMBL4075630

CCCCNC(C)=N

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
SCHEMBL4555309 0.92
SCHEMBL18560409 0.90 EPHX1 (0.56)
SCHEMBL12993988 0.90 EPHX1 (0.56)
SCHEMBL18621827 0.90 EPHX1 (0.56)
SCHEMBL33565 0.82
Bicarbonate SCHEMBL29287941 0.82 EPHX1 (0.59)
SCHEMBL14592894 0.80 EPHX1 (0.40)
Hydrochloric Acid SCHEMBL3523034 0.80
SCHEMBL1276675 0.80 EPHX1 (0.48)
SCHEMBL6440895 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP claimed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP claimed
EP-3835290-B1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2023-09-06 EP disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230060990-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 SLOAN KETTERING INST CANCER RES (US) 2023-03-02 US disclosed
EP-3835290-A1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR Nihon Nohyaku Co., Ltd. (JP) 2021-06-16 EP disclosed
WO-2017197488-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-11-23 WO disclosed
WO-2017132177-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2017-08-03 WO disclosed
US-9644174-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2017-05-09 US disclosed
US-20170112939-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS Ascendis Pharma Ophthamology Division A/S (DK) 2017-04-27 US disclosed
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-20070088067-A1 Novel amidine compounds for treating microbial infections GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-04-19 US disclosed
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5264448-A Thioamides, oxazole ring, insecticides, miticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0394043-A1 An amide compound and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-24 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed
US-4049639-A 5-Amido imido triazene triazoles and pyrazoles with photographic and antimycotic utility Kovacsovics, Erzsebet (HU) 1977-09-20 US disclosed