SCHEMBL3675122

SCHEMBL3675122

CCCC(CC#CI)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.35
TAS1R1 Q7RTX1 13/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL9385893 0.84 TAS1R3 (0.35) TAS1R3TAS1R1
SCHEMBL5133204 0.78 TAS1R3 (0.50) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL8961048 0.78 TAS1R3 (0.37) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL29186225 0.75 TAS1R3 (0.33) TAS1R3TAS1R1
SCHEMBL6717845 0.74 TAS1R3 (0.50) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL9386573 0.73 PLA2G2C (0.35) TAS1R3TAS1R1
SCHEMBL4284741 0.72 CNR1 (0.41) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL6120544 0.71 TAS1R3 (0.44) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL20914941 0.71 PLA2G2C (0.51) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL20186644 0.71 DNM1 (0.43) TAS1R3TAS1R1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061620-A1 METHOD FOR TREATING TECHNICAL PRODUCTS THOR GMBH (DE) 2023-04-20 WO claimed
US-8252819-B2 Low-melting biocidal formulation ROHM AND HAAS COMPANY (US) 2012-08-28 US claimed
EP-2108259-B1 Low-melting biocidal formulation ROHM & HAAS (US) 2010-12-22 EP claimed
US-20090258916-A1 Low-melting biocidal formulation ROHM AND HAAS COMPANY 2009-10-15 US claimed
EP-2108259-A1 Low-melting biocidal formulation Rohm and Haas Company (US) 2009-10-14 EP claimed
EP-0484172-B1 Synergistic combinations of iodopropargyl compounds with hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine BUCKMAN LABOR INC (US) 1998-05-06 EP claimed
EP-0612214-B1 SYNERGISTIC COMBINATIONS OF IODOPROPARGYL COMPOUNDS WITH 1,2-BENZISOTHIAZOLIN-3-ONE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS BUCKMAN LABOR INC (US) 1996-04-10 EP claimed
US-5374631-A Preserving metal working fluids BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1994-12-20 US claimed
EP-0612214-A1 SYNERGISTIC COMBINATIONS OF IODOPROPARGYL COMPOUNDS WITH 1,2-BENZISOTHIAZOLIN-3-ONE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS. BUCKMAN LABOR INC (US) 1994-08-31 EP claimed
WO-1993008690-A1 SYNERGISTIC COMBINATIONS OF IODOPROPARGYL COMPOUNDS WITH 1,2-BENZISOTHIAZOLIN-3-ONE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1993-05-13 WO claimed
EP-0484172-A1 Synergistic combinations of iodopropargyl compounds with hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1992-05-06 EP claimed
EP-3422854-A1 METHOD FOR REDUCNG MICROBIAL ATTACK OF INDUSTRIAL PRODUCTS THOR GmbH (DE) 2019-01-09 EP disclosed
US-8252819-B2 Low-melting biocidal formulation ROHM AND HAAS COMPANY (US) 2012-08-28 US disclosed
US-8252819-B2 Low-melting biocidal formulation ROHM AND HAAS COMPANY (US) 2012-08-28 US disclosed
EP-2108259-B1 Low-melting biocidal formulation ROHM & HAAS (US) 2010-12-22 EP disclosed
US-5374631-A Preserving metal working fluids BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1994-12-20 US disclosed
EP-0612214-A1 SYNERGISTIC COMBINATIONS OF IODOPROPARGYL COMPOUNDS WITH 1,2-BENZISOTHIAZOLIN-3-ONE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS. BUCKMAN LABOR INC (US) 1994-08-31 EP disclosed
US-5328926-A Metalworking solutions BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1994-07-12 US disclosed
WO-1993008690-A1 SYNERGISTIC COMBINATIONS OF IODOPROPARGYL COMPOUNDS WITH 1,2-BENZISOTHIAZOLIN-3-ONE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1993-05-13 WO disclosed
EP-0484172-A1 Synergistic combinations of iodopropargyl compounds with hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1992-05-06 EP disclosed