SCHEMBL9853357

SCHEMBL9853357

C=C(C)C(=O)OC.C=C(C)C(=O)OCC(CC)CCCC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
CYP3A4 P08684 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 6/20 0.48
CA2 P00918 3/20 0.48
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 3/20 0.44
CA1 P00915 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41

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
Methacrylic Acid SCHEMBL5027661 0.96 TSHR (0.51) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL1269088 0.94 TSHR (0.61) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL16772 0.94 TSHR (0.61) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL31757145 0.92 TSHR (0.59) TSHRCYP3A4TDP1ATMALDH1A1
Methane SCHEMBL28153878 0.92 TSHR (0.59) TSHRCYP3A4TDP1ATMALDH1A1
Charcoal, Activated SCHEMBL11214727 0.92 TSHR (0.59) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL27505017 0.92 TSHR (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL15415119 0.91 TSHR (0.64) TSHRCYP3A4TDP1ATMALDH1A1
Methacrylic Acid SCHEMBL4447127 0.89 TSHR (0.56) TSHRCYP3A4TDP1ATMALDH1A1
Ethylene Glycol SCHEMBL5819613 0.89 TSHR (0.56) TSHRCYP3A4TDP1ATMALDH1A1

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
WO-2016036682-A1 IMPROVED CURE MASKING AREA FOR UV CURABLE ADHESIVES IN DISPLAY APPLICATIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-10 WO disclosed
WO-2016014225-A1 OPTICALLY CLEAR PRESSURE SENSITIVE ADHESIVE ARTICLE 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-28 WO disclosed
CN-1175970-A water-based coating composition BASF LACKE & FARBEN (DE) 1998-03-11 CN disclosed
EP-0408858-A1 Copolymers for use in high solids, low volatile organic content coatings BASF Corporation (US) 1991-01-23 EP disclosed
US-4681832-A Electrophotographic liquid developer FUJI PHOTO FILM CO., LTD. (JP) 1987-07-21 US disclosed