SCHEMBL12759283

SCHEMBL12759283

C=C(C)C(=O)OCCCC(C)(C)Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.47
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 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
SCHEMBL1108012 0.85 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3429105 0.84 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Fluoride SCHEMBL28254640 0.83 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9610669 0.83 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28254642 0.81 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4955679 0.81 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18927198 0.81 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1225128 0.81 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL24595920 0.80 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12623794 0.80 TSHR (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915323-B2 Mono ethylenically unsaturated polycarbosiloxane monomers BAUSCH & LAMB INCORPORATED (US) 2011-03-29 US disclosed