SCHEMBL8031992

SCHEMBL8031992

CCCC(=S)OCC.CCCC(O)=S

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL1359007 0.90
SCHEMBL29064062 0.90 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL25238705 0.79 HDAC3 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL37528 0.79
SCHEMBL11506222 0.79 HDAC3 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL10929137 0.78 FFAR3 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL3244716 0.76
SCHEMBL21462107 0.76
Hydrochloric Acid SCHEMBL9687182 0.76
SCHEMBL4293235 0.76

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-0852025-B1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING N-ACYL-HYDRAZINE COMPOUNDS AS CONTRAST ENHANCERS EASTMAN KODAK CO (US) 2000-03-01 EP disclosed
EP-0852025-A1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING N-ACYL-HYDRAZINE COMPOUNDS AS CONTRAST ENHANCERS Imation Corp. (US) 1998-07-08 EP disclosed
WO-1997011408-A1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING N-ACYL-HYDRAZINE COMPOUNDS AS CONTRAST ENHANCERS IMATION CORP. (US) 1997-03-27 WO disclosed
US-5558983-A GRAPHIC ARTS APPLICATIONS MINNESOTA MINING & MANUFACTURING COMPANY (US) 1996-09-24 US disclosed