SCHEMBL11111869

SCHEMBL11111869

C=C(C)C(=O)OC(C)COC(C)COC(C)COCCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.37
PLA2G2C Q5R387 6/20 0.36
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.34
USP2 O75604 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TLR2 O60603 1/20 0.32

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
SCHEMBL887703 1.00 TDP1 (0.44) TDP1TSHRTHRBPLA2G2CALDH1A1
SCHEMBL503413 1.00 TDP1 (0.44) TDP1TSHRTHRBPLA2G2CALDH1A1
SCHEMBL4819070 0.95 TSHR (0.49) TDP1TSHRPLA2G2CCES2USP2
SCHEMBL7191777 0.95 TSHR (0.46) TDP1TSHRTHRBPLA2G2CALDH1A1
SCHEMBL5451861 0.94 TSHR (0.51) TDP1TSHRPLA2G2CCES2USP2
SCHEMBL11760421 0.94 TSHR (0.51) TDP1TSHRPLA2G2CCES2USP2
SCHEMBL5450809 0.94 TSHR (0.51) TDP1TSHRPLA2G2CCES2USP2
SCHEMBL5449767 0.94 TSHR (0.51) TDP1TSHRPLA2G2CCES2USP2
SCHEMBL4815158 0.91 TDP1 (0.54) TDP1TSHRTHRBALDH1A1
SCHEMBL11240653 0.91 TDP1 (0.54) TDP1TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3976614-A Inherrently water-dispersible, selfcrosslinking interpolymers useful as coatings THE DOW CHEMICAL COMPANY (US) 1976-08-24 US claimed
US-4465794-A Hydrophilic polymers and contact lenses therefrom ALLERGAN 1984-08-14 US disclosed
US-4328148-A SOLFTNESS AND WEAR RESISTANCE ACHIEVED BY THE USE OF AN ACRYLATE-ACRYLAMIDE POLYMEER ALLERGAN 1982-05-04 US disclosed
US-4310397-A SUSTAINED RELEASE; PREPARED BY IRRADIATION POLYMERIZATION JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1982-01-12 US disclosed
US-4275183-A Hydrophilic polymers and contact lenses therefrom ALLERGAN 1981-06-23 US disclosed
US-4038264-A HYDROPHILIC POLYACRYLIC ESTERS, CONTACT LENSES NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-07-26 US disclosed
US-4003991-A WATER SOLUBLE ACRYLIC, 2-ALKENAMIDE, OR ETHYLENIMINE POLYMER; TOPICAL MEDICAMENTS NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-01-18 US disclosed
US-3976614-A Inherrently water-dispersible, selfcrosslinking interpolymers useful as coatings THE DOW CHEMICAL COMPANY (US) 1976-08-24 US disclosed