SCHEMBL9229668

SCHEMBL9229668

C=CCC(CS)C(=O)[O-].C=CCC(CS)C(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
TSHR P16473 3/20 0.36
FAAH O00519 1/20 0.36
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
FABP3 P05413 6/20 0.34
CA1 P00915 2/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL9064893 0.94 CA2 (0.41) CA2TSHRFAAHCA1CYP3A4
SCHEMBL3519177 0.81 CA2 (0.49) CA2TSHRCES2CES1CA1
SCHEMBL9068224 0.79 CA2 (0.59) CA2TSHRCA1CYP3A4NFKB1
SCHEMBL9247328 0.79 CA2 (0.59) CA2TSHRCA1CYP3A4NFKB1
SCHEMBL11879863 0.79 CA2 (0.59) CA2TSHRCA1CYP3A4NFKB1
SCHEMBL10581675 0.78 CPA1 (0.41) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL7719968 0.76 CA2 (0.51) CA2TSHRCA1CYP3A4NFKB1
SCHEMBL10697350 0.76 CA1 (0.33) CA2TSHRFAAHCES2CES1
Lithium Ion SCHEMBL8771471 0.75 CA2 (0.62) CA2TSHRFAAHCES2CES1
2-Ethylhexanoic Acid SCHEMBL342218 0.75 CA2 (0.70) CA2TSHRCES2CES1CA1

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-0607972-A1 Antistatic nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-07-27 EP claimed
US-5539055-A STYRENE RESIN AND VINYL CHLORIDE RESIN WITH ANTISTATIC AGENT AND STABILIZER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-07-23 US disclosed
EP-0607972-A1 Antistatic nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-07-27 EP disclosed
EP-0607972-A1 Antistatic nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-07-27 EP disclosed