SCHEMBL27344652

SCHEMBL27344652

C=C(CC(C)O)C(=O)OCCCOC(=O)C(=C)CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL5518986 0.91 TSHR (0.37) TSHRTHRB
SCHEMBL11233304 0.86 TSHR (0.39) TSHRTHRBTDP1MAPTALDH1A1
SCHEMBL11722283 0.86 TET2 (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14110086 0.85 TSHR (0.55) TSHRTHRBHPGDALDH1A1
SCHEMBL5165658 0.85 TSHR (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28005706 0.85 TSHR (0.33) TSHRTHRBALDH1A1
SCHEMBL6636196 0.82 TET2 (0.37) TSHRTHRB
SCHEMBL3379752 0.82 TSHR (0.45) TSHRMAPT
SCHEMBL10457630 0.82 ALDH1A1 (0.44) TSHRTHRBMAPTALDH1A1
SCHEMBL27866630 0.80 TSHR (0.48) TSHRTHRBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1807471-B Vinyl acetate based high viscosity latex preparation method CHANGDE JINFURONG FINE CHEMICALS CO LTD 2010-05-05 CN disclosed
CN-1807471-A Vinyl acetate based high viscosity latex preparation method CHANGZHOU JINFURONG FINE CHEMI (CN) 2006-07-26 CN disclosed
CN-1046304-C Electrocoating composition and method for coating electrically conductive substrates BASFT LACKE & FARBEN AG (DE) 1999-11-10 CN disclosed
CN-1131431-A Electro-dipcoating composition and process for dip-coating electroconductive substrates BASF LACKE & FARBEN (DE) 1996-09-18 CN disclosed