SCHEMBL9102299

SCHEMBL9102299

C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=CC(=O)OCCOCCOC(=O)C=C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.61
ALDH1A1 P00352 5/20 0.61
TP53 P04637 3/20 0.61
HIF1A Q16665 3/20 0.61
CYP3A4 P08684 2/20 0.61
HSD17B10 Q99714 1/20 0.61
THRB P10828 3/20 0.54
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCAR2 Q8TDS4 2/20 0.36
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL22554425 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554409 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554420 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554412 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554426 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554403 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554411 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554415 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554419 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22554416 0.93 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951162-B1 UV ABSORBER CONTAINING URETHANE ACRYLATE COVESTRO DEUTSCHLAND AG (DE) 2016-11-09 EP disclosed
EP-2951162-A1 UV ABSORBER-CONTAINING URETHANE ACRYLATE Covestro Deutschland AG (DE) 2015-12-09 EP disclosed
WO-2014118116-A1 UV ABSORBER-CONTAINING URETHANE ACRYLATE BAYER MATERIALSCIENCE AG (DE) 2014-08-07 WO disclosed
EP-2460668-B1 Safety document and/or valuable document with scratch-proof covering layer BAYER IP GMBH (DE) 2013-07-31 EP disclosed
EP-2460668-A1 Safety document and/or valuable document with scratch-proof covering layer Bayer MaterialScience AG (DE) 2012-06-06 EP disclosed