SCHEMBL4900588

SCHEMBL4900588

C=C(C)C(=O)OCCC(O)OC(=O)C(=C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8966154 0.89 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21074066 0.86 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL9453871 0.86 TSHR (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16592838 0.86 TSHR (0.45) THRBTSHRALDH1A1TDP1
SCHEMBL15901806 0.85 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL25309314 0.84 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15385280 0.84 TSHR (0.62) THRBTSHRALDH1A1POLBAPEX1
Ethylene Glycol SCHEMBL11876288 0.84 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16243779 0.84 TSHR (0.43) THRBTSHRALDH1A1
Methacrylic Acid SCHEMBL9551905 0.82 TSHR (0.54) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11241276-A None JP disclosed
CN-106190833-A Culture vessel, gel rubber material and culture systems 精工爱普生株式会社 2016-12-07 CN disclosed
US-20080305175-A1 Micro-Container AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-12-11 US disclosed
JP-H11241276-A RUBBER REINFORCING CODE AND TREATING AGENT THEREFOR NIPPON GLASS FIBER CO LTD 1999-09-07 JP disclosed
US-4038264-A HYDROPHILIC POLYACRYLIC ESTERS, CONTACT LENSES NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-07-26 US disclosed
US-4009684-A Water soluble polymers useful in the preparation of novel animal litter NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-03-01 US disclosed