SCHEMBL5078696

SCHEMBL5078696

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CA1 P00915 2/20 0.35
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL11878047 0.88 CA2 (0.38) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL11878759 0.82 CA2 (0.55) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL3518074 0.81 CA2 (0.44) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL9068224 0.80 CA2 (0.59) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL11879863 0.80 CA2 (0.59) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL9247328 0.80 CA2 (0.59) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL825638 0.79 CA2 (0.50) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL9065666 0.79 CA2 (0.50) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL31624657 0.78 CA2 (0.43) CA2CYP3A4TSHRNFKB1NPSR1
SCHEMBL7719968 0.77 CA2 (0.51) CA2CYP3A4TSHRNFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411083-B1 VINYL CHLORIDE POLYMER COMPOSITION KURARAY CO (JP) 2008-06-18 EP disclosed
US-7138447-B2 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2006-11-21 US disclosed
US-7041735-B2 Vinyl chloride polymer composition KURARAY CO., LTD. (JP) 2006-05-09 US disclosed
US-20040176525-A1 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2004-09-09 US disclosed
US-20040171751-A1 Vinyl chloride polymer composition KURARAY CO., LTD. (JP) 2004-09-02 US disclosed
EP-1411086-A1 THERMOPLASTIC POLYMER COMPOSITION Kuraray Co., Ltd. (JP) 2004-04-21 EP disclosed
EP-1411083-A1 VINYL CHLORIDE POLYMER COMPOSITION KURARAY CO., LTD. (JP) 2004-04-21 EP disclosed