SCHEMBL2304148

SCHEMBL2304148

CCC(CO)(CO)CO.O=C(O)C(Cl)C=S.O=C(O)C(Cl)C=S.O=C(O)C(Cl)C=S

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9624762 0.77
SCHEMBL16752030 0.73 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11357865 0.73 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL30421474 0.73 TSHR (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL30446842 0.72 FFAR3 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL1357297 0.72 FFAR3 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL8777797 0.72 FFAR3 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL8777834 0.72 FFAR3 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL31122181 0.72 FFAR3 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2768344 0.71 TDP1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349992-B1 THIOCARBAMOYLDISULFANYL-FUNCTIONAL CYCLOALIPHATIC COMPOUND, PROCESS FOR ITS PREPARATION, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SAME AND ARTICLES FABRICATED THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2014-08-27 EP disclosed
EP-2349992-A1 THIOCARBAMOYLDISULFANYL-FUNCTIONAL CYCLOALIPHATIC COMPOUND, PROCESS FOR ITS PREPARATION, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SAME AND ARTICLES FABRICATED THEREFROM Momentive Performance Materials Inc. (US) 2011-08-03 EP disclosed
WO-2010051396-A1 THIOCARBAMOYLDISULFANYL-FUNCTIONAL CYCLOALIPHATIC COMPOUND, PROCESS FOR ITS PREPARATION, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SAME AND ARTICLES FABRICATED THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-05-06 WO disclosed
US-7674861-B1 Thiocarbamoyldisufanyl-functional cycloaliphatic compound, process for its preparation, filled sulfur-vulcanizable elastomer composition containing same and articles fabricated therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-03-09 US disclosed