SCHEMBL1227367

SCHEMBL1227367

COC(C)CC#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
SCHEMBL8698778 0.79 MAPK1 (0.38)
SCHEMBL23037491 0.74
SCHEMBL15770851 0.74
SCHEMBL5166412 0.74
SCHEMBL3613980 0.73
SCHEMBL256196 0.73
SCHEMBL3908948 0.72
SCHEMBL26027866 0.72
SCHEMBL3972048 0.72
SCHEMBL3908943 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
WO-2021139482-A1 CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed
US-9650371-B2 Sulfur-containing heterocyclic derivative having beta secretase inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-05-16 US disclosed
US-20160326158-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-11-10 US disclosed
US-20160108052-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-04-21 US disclosed
US-9273053-B2 Sulfur-containing heterocyclic derivative having Beta secretase inhibitory activity SHIONOGI & CO., LTD. (JP) 2016-03-01 US disclosed
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. 2015-10-15 US disclosed
EP-1606845-B1 PHOTOVOLTAIC CELLS UTILIZING MESH ELECTRODES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
EP-1959466-B1 Photovoltaic fibers MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
WO-1999032429-A2 METHOD FOR PRODUCING SECONDARY AMINES FROM NITRILES AND PRIMARY AMINES BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed
EP-0673918-B1 Process for the preparation of peralkylated amines BASF AG (DE) 1999-06-02 EP disclosed
US-5894074-A Preparation of tertiary amines from nitriles and secondary amines BASF AKTIENGESELLSCHAFT (DE) 1999-04-13 US disclosed
EP-0869113-A2 Process for the preparation of tertiary amines fromnitriles and secondary amines BASF AKTIENGESELLSCHAFT (DE) 1998-10-07 EP disclosed
US-5463130-A Preparation of peralkylated amines BASF AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0673918-A1 Process for the preparation of peralkylated amines BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
EP-0100764-B1 PROCESS FOR REMOVAL OF CARBON OXIDES FROM GAS MIXTURES MONSANTO COMPANY (US) 1986-06-04 EP disclosed
EP-0100764-A1 Process for removal of carbon oxides from gas mixtures MONSANTO COMPANY (US) 1984-02-15 EP disclosed
US-4269668-A SEPARATION AND PURIFICATION OF 1,3-BUTADIENE USING A COSOLVENT OF DIMETHYL SULFOXIDE, SULFOLANE, MORPHOLINE, N-METHYLPYRROLIDONE, G-BUTYROLACTONE, OR TRIMETHYL PHOSPHATE; POLYMERIZATION INHIBITION; EFFICIENTY THE B. F. GOODRICH COMPANY (US) 1981-05-26 US disclosed
US-4268361-A IN SYNERGYSTIC COMBINATION WITH 2,4-DINITROPHENOL AND PHOSPHORIC ACID THE B. F. GOODRICH COMPANY (US) 1981-05-19 US disclosed