SCHEMBL4936229

SCHEMBL4936229

C=C(C)C(=O)OCCN.FC(F)(F)C1(F)OC1(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6012518 0.81
Chloromethane SCHEMBL5583238 0.79 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL69712 0.79
Hydrochloric Acid SCHEMBL28562793 0.77 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
Water SCHEMBL29636271 0.77 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL148456 0.77 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
Bromide SCHEMBL4441948 0.77 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28904617 0.77
Ammonia Solution, Strong SCHEMBL22612067 0.77 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
Ethylene SCHEMBL31588298 0.77 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1

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
US-20080254321-A1 Coatings for Particle Reduction 3M INNOVATIVE PROPERTIES COMPANY 2008-10-16 US disclosed
EP-1831284-A1 COATINGS FOR PARTICLE REDUCTION 3M Innovative Properties Company (US) 2007-09-12 EP disclosed
WO-2006074079-A1 COATINGS FOR PARTICLE REDUCTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed