SCHEMBL3715599

SCHEMBL3715599

CC(C)CCCCCSCCC(=O)[O-].CC(C)CCCCCSCCC(=O)[O-].CC(C)CCCCCSCCC(=O)[O-].CCCC[Sn+3]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
CA1 P00915 5/20 0.41
NFKB1 P19838 1/20 0.40
CA2 P00918 3/20 0.37
EPHX1 P07099 1/20 0.36
CES2 O00748 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FABP3 P05413 3/20 0.34
BHMT Q93088 1/20 0.34

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
SCHEMBL3689084 0.87 CES2 (0.44) GPR84CA1NFKB1CA2EPHX1
SCHEMBL17472939 0.86 CA1 (0.50) GPR84CA1NFKB1CA2BHMT
SCHEMBL10592362 0.86 CA1 (0.50) GPR84CA1NFKB1CA2BHMT
SCHEMBL8501640 0.84 GPR84 (0.41) GPR84CA1NFKB1CA2CES2
SCHEMBL748704 0.83 CA1 (0.47) GPR84CA1NFKB1CA2BHMT
SCHEMBL25214938 0.83 NFKB1 (0.51) GPR84CA1NFKB1CA2FABP3
SCHEMBL5037538 0.83 CES2 (0.46) GPR84CA1NFKB1CA2EPHX1
SCHEMBL11550679 0.83 CA1 (0.36) GPR84CA1NFKB1POLBBHMT
SCHEMBL8998738 0.82 GPR84 (0.39) GPR84CA1NFKB1CA2CES2
E388 SCHEMBL2936715 0.81 CA1 (0.47) GPR84CA1NFKB1CES2FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123038-A1 PERCHLORATE SOLUTION IMPROVED IN SAFETY, AND A METHOD FOR HEAT-STABILIZING CHLORINE-CONTAINING RESIN COMPOSITIONS AKISHIMA CHEMICAL INDUSTRIES CO., LTD. (JP) 2012-05-17 US disclosed
US-7041265-B2 Alkaline earth metal-basic silicate particle MIZUSAWA INDUSTRIAL CHEMICALS (JP) 2006-05-09 US disclosed
US-20040147660-A1 Alkaline earth metal-basic silicate particle MIZUSAWA INDUSTRIAL CHEMICALS (JP) 2004-07-29 US disclosed
EP-0483400-B1 Stabilized chlorinated resin composition ASAHI DENKA KOGYO KK (JP) 1996-09-11 EP disclosed
US-5356981-A An inorganic copper compound adsorbed into hydrotalcite; polyvinyl chloride ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1994-10-18 US disclosed
EP-0483400-A1 Stabilized chlorinated resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed
US-4515916-A HEAT RESISTANCE MORTON THIOKOL INC. (US) 1985-05-07 US disclosed
US-4371656-A Metal substituted zeolites as stabilizers for halogen-containing resins NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 1983-02-01 US disclosed
US-4146518-A ORGANOTIN COMPOUNDS ARGUS CHEMICAL CORPORATION (US) 1979-03-27 US disclosed