SCHEMBL7665484

SCHEMBL7665484

C=C(C)C(=O)OCC(C)CC(C)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL31059270 0.90 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11749779 0.86 TSHR (0.70) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3319370 0.86 TSHR (0.75) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8965528 0.84 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL9695772 0.84 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20001266 0.84 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19017 0.84 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL23494026 0.83 TSHR (0.60) TSHRTHRBALDH1A1MAPT
SCHEMBL1483913 0.83 TSHR (0.66) TSHRTHRBALDH1A1
SCHEMBL489030 0.83 TSHR (0.60) TSHRTHRBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342615-B1 COATING COMPRISING PURIFIED GLYCIDYL ESTER HAVING SPECIFIED COLOR VALUE AFTER HEAT STORAGE IN AIR FOR TWENTY DAYS AND CONTAINING LESS THAN FOUR WEIGHT PERCENT HEAVIER MOLECULAR SPECIES EXXONMOBIL CHEMICALS PATENTS INC. 2002-01-29 US disclosed
US-6136991-A USED AS REACTANTS IN PREPARING POLYMERS SUCH AS ACRYLIC RESINS AND ALKYD RESINS EXXON CHEMICAL PATENTS INC. (US) 2000-10-24 US disclosed