SCHEMBL7127941

SCHEMBL7127941

C=CCC(C)(CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.32
MME P08473 4/20 0.31
ACE P12821 3/20 0.31
MAPT P10636 1/20 0.31
TET2 Q6N021 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
SCHEMBL11812638 0.88 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Allyl Alcohol SCHEMBL27761304 0.84 TSHR (0.43) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL1717016 0.82 TSHR (0.41) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL18114213 0.80 TSHR (0.62) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Acrylic Acid SCHEMBL11680598 0.79 LMNA (0.48) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL11813029 0.78 TSHR (0.38) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL181160 0.77 TSHR (0.55) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL26766 0.77
SCHEMBL10832355 0.77 TSHR (0.37) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL11793336 0.77 TSHR (0.37) TSHRCYP2D6CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555054-A1 DEVELOPER FOR PROCESSING PLANOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PREPARING PLANOGRAPHIC PRINTING PLATE USING THE DEVELOPER, AND METHOD FOR PRINTING FUJIFILM Corporation (JP) 2013-02-06 EP disclosed
JP-2003034666-A METHOD FOR PRODUCING ALLYL METHACRYLATE MITSUBISHI GAS CHEM CO INC 2003-02-07 JP disclosed
EP-0359385-B1 DRY GROUND/WET GROUND CALCIUM CARBONATE FILLER COMPOSITIONS ECCA CALCIUM PRODUCTS, INC. (US) 1993-01-13 EP disclosed
EP-0359385-A1 Dry ground/wet ground calcium carbonate filler compositions ECCA CALCIUM PRODUCTS, INC. (US) 1990-03-21 EP disclosed
US-4898620-A IN THERMOSETTING AND THERMOPLASTIC RESINOUS MOLDING ECCA CALCIUM PRODUCTS, INC. (US) 1990-02-06 US disclosed
US-4835195-A SYNTHETIC RESIN ECCA CALCIUM PRODUCTS, INC., AN AL CORP. 1989-05-30 US disclosed