SCHEMBL8901916

SCHEMBL8901916

CCCOC(O)CCOCCCN(CCCOCCC(O)OCCC)N(CCCOCCC(O)OCCC)CCCOCCC(O)OCCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL11049356 0.82 TDP1 (0.47) TDP1USP2HTTTSHRHSD17B10
SCHEMBL20590292 0.77 TSHR (0.46) TDP1USP2HTTTSHRSPHK1
SCHEMBL8769656 0.76 TDP1 (0.37) TDP1HSD17B10
SCHEMBL20582052 0.76 HTT (0.50) USP2HTTTSHRSPHK1
SCHEMBL4889663 0.75 TDP1 (0.38) TDP1USP2HTTTSHRHSD17B10
SCHEMBL9657933 0.73 TSHR (0.46) TDP1USP2HTTTSHRHSD17B10
SCHEMBL5467568 0.72 TDP1 (0.39) TDP1USP2HTTHSD17B10
SCHEMBL106780 0.71
SCHEMBL11581242 0.70 TSHR (0.54) TDP1TSHRHSD17B10
SCHEMBL29204613 0.70 HSD17B10 (0.44) TDP1USP2HTTTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618854-A Combustion-modified flexible polyurethane foams THE DOW CHEMICAL COMPANY (US) 1997-04-08 US disclosed
EP-0496420-B1 Combustion-modified flexible polyurethane foams DOW CHEMICAL CO (US) 1996-11-13 EP disclosed
EP-0496420-A2 Combustion-modified flexible polyurethane foams THE DOW CHEMICAL COMPANY (US) 1992-07-29 EP disclosed