SCHEMBL819583

SCHEMBL819583

OC(CC1CO1)CC1CO1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL981080 0.88 ALDH1A1 (0.35) ALDH1A1TDP1TSHR
SCHEMBL3386110 0.86
SCHEMBL8816544 0.84
SCHEMBL3243530 0.84
SCHEMBL30089726 0.84
SCHEMBL2884859 0.84
SCHEMBL8816548 0.84
SCHEMBL989283 0.84
SCHEMBL819773 0.82 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL6436029 0.82

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-8513334-B2 Functionalized polyurethane polyurea dispersions BAYER MATERIALSCIENCE AG (DE) 2013-08-20 US disclosed
US-20110288204-A1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS BAYER MATERIAL SCIENCE AG (DE) 2011-11-24 US disclosed
CN-1196028-C Stereolithographic composition for preparing polyethylene-like articles DSM IP N V (NL) 2005-04-06 CN disclosed