SCHEMBL1532920

SCHEMBL1532920

C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20083275 1.00 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30360186 0.93 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1286343 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2988873 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL347405 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL708916 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2462848 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1536995 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL44451 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1536968 0.88 TSHR (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754768-B1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY DAINIPPON INK & CHEMICALS (JP) 2011-03-30 EP disclosed
US-7449223-B2 containing an additive that improves the level of defects in the vicinity of the air interface for an optically anisotropic medium that exhibits either tilted alignment or horizontal alignment DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-11-11 US disclosed
US-20070170394-A1 Polymerizable liquid crystal composition and optically anisotropic medium DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-07-26 US disclosed
EP-1754768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY Dainippon Ink and Chemicals, Incorporated (JP) 2007-02-21 EP disclosed