SCHEMBL4453373

SCHEMBL4453373

[CH2]C(CCOCCC)OCCC

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL648734 0.91 HSD17B10 (0.34) HSD17B10TDP1
SCHEMBL8419757 0.89 TSHR (0.37) HSD17B10TDP1
SCHEMBL648735 0.88 ALDH1A1 (0.33)
SCHEMBL2803830 0.82
SCHEMBL28033462 0.82 TSHR (0.43)
SCHEMBL10967124 0.81 TDP1 (0.34) TDP1
SCHEMBL10765878 0.81
SCHEMBL22660955 0.80 TSHR (0.41)
SCHEMBL6903240 0.79 LMNA (0.31)
SCHEMBL9470883 0.79 HTT (0.45) TDP1

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-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US disclosed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP disclosed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US disclosed