SCHEMBL3189199

SCHEMBL3189199

C=C(C)C(=O)OCCCOC(=O)C(=C)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
THRB P10828 1/20 0.53
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CYP3A4 P08684 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ATM Q13315 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL182045 0.91 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9162964 0.89 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11600594 0.89 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9623489 0.87 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9641956 0.87 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18101451 0.86 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.86 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.86 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10797773 0.85 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28291181 0.85 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT

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
WO-2020213442-A1 PHOTOPOLYMERIZABLE COMPOSITION, COATING FILM CONTAINING SAID PHOTOPOLYMERIZABLE COMPOSITION, AND CURING METHOD THEREFOR 川崎化成工業株式会社 2020-10-22 WO disclosed
US-20100040978-A1 PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2010-02-18 US disclosed
US-20040048978-A1 Photosensitive resin composition, solder resist comprising the same, cover lay film, and printed circuit board KANEKA CORPORATION (JP) 2004-03-11 US disclosed