SCHEMBL16077844

SCHEMBL16077844

Oc1c(I)cc(I)cc1CSC1CCCCCCC1SCc1cc(I)cc(I)c1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.39
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ERN1 O75460 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
SCHEMBL14682853 1.00 TTR (0.39) TTRCYP2C9CYP2C19HIF1AERN1
SCHEMBL14702950 1.00 TTR (0.39) TTRCYP2C9CYP2C19HIF1AERN1
SCHEMBL18625265 0.81 CYP2C19 (0.44) CYP2C9CYP2C19HIF1A
SCHEMBL15781535 0.81 CYP2C19 (0.44) CYP2C9CYP2C19HIF1A
SCHEMBL14702951 0.72 CYP2D6 (0.56) TTRCYP2C9CYP2C19HIF1A
SCHEMBL14682856 0.72 CYP1A2 (0.50) TTRCYP2C9CYP2C19HIF1A
SCHEMBL14682861 0.72 CYP2D6 (0.56) TTRCYP2C9CYP2C19HIF1A
SCHEMBL14749262 0.72 CYP1A2 (0.40) CYP2C9CYP2C19
SCHEMBL14682857 0.72 CYP1A2 (0.40) CYP2C9CYP2C19
SCHEMBL14702952 0.72 CYP1A2 (0.50) TTRCYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275429-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING PLURALITY OF TYPES OF TRANSITION METAL CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 — — US disclosed
US-20140275429-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING PLURALITY OF TYPES OF TRANSITION METAL CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 — — US disclosed
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