SCHEMBL13635762

SCHEMBL13635762

C=C(C)C(=O)OCCCCC(C)(O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL12416078 0.95 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9610668 0.88 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13486939 0.85 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14330801 0.85 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28866183 0.85 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12199990 0.83 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28255778 0.83 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5233396 0.83 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25211836 0.83 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9303527 0.83 TSHR (0.59) 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-8304178-B2 Top antireflective coating composition containing hydrophobic and acidic groups INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-06 US disclosed