SCHEMBL2988873

SCHEMBL2988873

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)C(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)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.42
THRB P10828 3/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27085680 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1537033 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL347405 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL44451 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1536968 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2462848 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1536995 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL708916 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1286343 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1536868 1.00 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100112441-A1 BINDER FOR SECONDARY BATTERY ELECTRODE, SECONDARY BATTERY ELECTRODE, AND SECONDARY BATTERY ZEON CORPORATION (JP) 2010-05-06 US disclosed
US-20080139690-A1 Coating Agents for Producing Formable, Scratch and Soiling-Resistant Coatings, Scratch-Resistant, Formable and Soiling-Resistant Shaped Bodies and a Method for the Production Thereof ROEHM GMBH (DE) 2008-06-12 US disclosed
US-20060058458-A1 Coating agents for producing rigid coatings resistant to scratching and soiling and rigid moulded bodies resistant to scratching and soiling and method for the production thereof ROEHM GMBH & CO. KG (DE) 2006-03-16 US disclosed
US-RE36294-E POLYFUNCTIONAL (METH)ACRYLIC MONOMERS, AND SAID LAYER FURTHER CONTAINS, AS A ?LEVELING? AGENT, FLUOROALKYL (METH)ACRYLATES ROHM GMBH CHEMISCHE FABRIK (DE) 1999-09-07 US disclosed
US-5418304-A Weatherproof ROEHM GMBH CHEMISCHE FABRIK (DE) 1995-05-23 US disclosed