SCHEMBL813378

SCHEMBL813378

O=COCCOCCOCCOCCOC=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL126792 1.00 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL827285 1.00 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1AHSD17B10
Ethylene Glycol Diformate SCHEMBL827902 0.89
SCHEMBL4396264 0.86 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL22041029 0.86 MEN1 (0.58) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL24292276 0.86 CA2 (0.38)
SCHEMBL1010288 0.86
SCHEMBL3081170 0.86 MEN1 (0.58) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL7571486 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4397692 0.86

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-7968668-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON INC. (US) 2011-06-28 US disclosed
US-7728097-B2 Method of making a diisocyanate terminated macromer ETHICON, INC. (US) 2010-06-01 US disclosed
US-20070167617-A1 Method of making a diisocyanate terminated macromer ETHICON, INC. 2007-07-19 US disclosed