SCHEMBL7561035

SCHEMBL7561035

C=C(C)C(=O)NC(C)C[N+](C)(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 2/20 0.35
CHRM3 known ✓ P20309 1/20 0.31
TGFBR1 P36897 1/20 0.39
TSHR P16473 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
TBXA2R P21731 1/20 0.35
MAPT P10636 2/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRAT P43155 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
CHRM5 P08912 1/20 0.31
CYP2C9 P11712 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL6116686 0.89 TGFBR1 (0.36) TGFBR1
SCHEMBL6117814 0.87 TGFBR1 (0.36) TGFBR1KMT2ALMNA
SCHEMBL4779976 0.85 TGFBR1 (0.46) TGFBR1TSHRCHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL368659 0.84 TGFBR1 (0.44) TGFBR1TSHRCHRM2CHRM4CHRM1
SCHEMBL6116476 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2790664 0.78 TGFBR1 (0.38) TGFBR1
Hydrochloric Acid SCHEMBL7263360 0.77 TGFBR1 (0.37) TGFBR1
SCHEMBL6116566 0.76 TGFBR1 (0.35) TGFBR1
SCHEMBL366307 0.75 SLC22A16 (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10496364 0.74 TGFBR1 (0.43) TGFBR1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143098-B1 POLYMER AND SURFACTANT COMPOSITIONS AND THEIR USES FOR THE IMPROVED RECOVERY OF HYDROCARBONS TOTAL SE (FR) 2021-02-10 EP claimed
CN-116102840-A Composite asphalt warm mix agent, preparation method and application thereof, asphalt and asphalt mixture 北京东方雨虹防水技术股份有限公司 2023-05-12 CN disclosed
EP-3143098-B1 POLYMER AND SURFACTANT COMPOSITIONS AND THEIR USES FOR THE IMPROVED RECOVERY OF HYDROCARBONS TOTAL SE (FR) 2021-02-10 EP disclosed
EP-3143098-A1 POLYMER AND SURFACTANT COMPOSITIONS AND THEIR USES FOR THE IMPROVED RECOVERY OF HYDROCARBONS Total SA (FR) 2017-03-22 EP disclosed
WO-2015173339-A1 POLYMER AND SURFACTANT COMPOSITIONS AND THEIR USES FOR THE IMPROVED RECOVERY OF HYDROCARBONS TOTAL SA (FR) 2015-11-19 WO disclosed
EP-1228112-A1 COPOLYMERS OF ACRYLOYLAMINOALKYL COMPOUNDS Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2002-08-07 EP disclosed
WO-2001019878-A1 COPOLYMERS OF ACRYLOYLAMINOALKYL COMPOUNDS CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2001-03-22 WO disclosed