SCHEMBL128169

SCHEMBL128169

CS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL8596055 1.00 CA2 (0.58)
SCHEMBL25599 1.00 CA2 (0.58)
SCHEMBL246838 1.00 CA2 (0.58)
SCHEMBL105 1.00
SCHEMBL15109974 1.00
SCHEMBL429367 0.94
SCHEMBL20570028 0.94
SCHEMBL8729088 0.94
SCHEMBL20570964 0.94
SCHEMBL21641627 0.94 CA2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524895-B2 Method for preparing amide CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2013-09-03 US claimed
US-20100063274-A1 METHOD FOR PREPARING AMIDE CHINA PETROCHEMICAL DEVELOPMENT CORPORATION, Taipei(Taiwan) (TW) 2010-03-11 US claimed
US-6262277-B1 IN MEDICINE FOR PROPHYLAXIS AND THERAPY OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA, IN MAMMALS G.D. SEARLE AND COMPANY 2001-07-17 US claimed
EP-0032366-B1 USE OF 4-THIOPARABANIC ACID DERIVATIVES AS HERBICIDES Consortium für elektrochemische Industrie GmbH (DE) 1983-09-07 EP claimed
US-4183913-A CARBODIIMIDE AND HETEROCYCLIC QUATERNARY AMMONIUM COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1980-01-15 US claimed
US-4112065-A Compositions of bis(ortho-substituted phenyl)carbodiimides and quaternary ammonium salts and their use thereof in combatting ectoparasitic tick infestations of animals BAYER AKTIENGESELLSCHAFT (GE) 1978-09-05 US claimed
WO-2020226890-A1 POLYMERIZATION COMPOSITIONS AND METHODS FOR MAKING AND USING SAME HANIK PETER (US) 2020-11-12 WO disclosed
EP-0783022-B2 ETHYLENIC POLYMER COMPOSITION MITSUI CHEMICALS INC (JP) 2016-01-20 EP disclosed
EP-1243598-B1 PROCESS FOR THE POLYMERIZATION OF OLEFINS MITSUI CHEMICALS INC (JP) 2015-08-12 EP disclosed
EP-2267045-B1 Olefin polymer of very low polydispersity and process for preparing the same MITSUI CHEMICALS INC (JP) 2015-07-15 EP disclosed
EP-2267041-B1 Olefin multiblock copolymer of very low polydispersity and process for preparing the same MITSUI CHEMICALS INC (JP) 2015-07-08 EP disclosed
EP-2267044-B1 Olefin polymer of very low polydispersity and process for preparing the same MITSUI CHEMICALS INC (JP) 2015-07-08 EP disclosed
EP-2267042-B1 Olefin diblock copolymer of very low polydispersity and process for preparing the same MITSUI CHEMICALS INC (JP) 2015-06-10 EP disclosed
EP-0653433-A1 Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst component, and process for olefin polymerization MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-05-17 EP disclosed
EP-0629632-A2 Novel transition metal compound for use as a polymerization catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed
EP-0629631-A2 Novel transition metal compound, and polymerization catalyst containing it MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed
EP-0032366-B1 USE OF 4-THIOPARABANIC ACID DERIVATIVES AS HERBICIDES Consortium für elektrochemische Industrie GmbH (DE) 1983-09-07 EP disclosed
EP-0032366-A1 Use of 4-thioparabanic acid derivatives as herbicides Consortium für elektrochemische Industrie GmbH (DE) 1981-07-22 EP disclosed
US-4183913-A CARBODIIMIDE AND HETEROCYCLIC QUATERNARY AMMONIUM COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed
US-4112065-A Compositions of bis(ortho-substituted phenyl)carbodiimides and quaternary ammonium salts and their use thereof in combatting ectoparasitic tick infestations of animals BAYER AKTIENGESELLSCHAFT (GE) 1978-09-05 US disclosed