SCHEMBL11133136

SCHEMBL11133136

C=C(C)C(=O)OCC(O)COCCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.35
USP2 O75604 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
LPAR5 Q9H1C0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 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
SCHEMBL144844 0.91 TSHR (0.57) TSHRTHRBALDH1A1USP2POLB
Ethylene Glycol SCHEMBL11168150 0.89 TSHR (0.55) TSHRTHRBALDH1A1USP2
SCHEMBL20616531 0.88 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL17448864 0.88 THRB (0.59) TSHRTHRBALDH1A1USP2POLB
SCHEMBL56496 0.88 TSHR (0.53) TSHRTHRBALDH1A1USP2POLB
SCHEMBL996289 0.88 TSHR (0.53) TSHRTHRBALDH1A1USP2POLB
SCHEMBL11659781 0.88 TSHR (0.53) TSHRTHRBALDH1A1USP2HTT
SCHEMBL347487 0.87 TSHR (0.61) TSHRTHRBALDH1A1USP2POLB
SCHEMBL5535254 0.87 TSHR (0.61) TSHRTHRBALDH1A1USP2POLB
1,4-Butanediol SCHEMBL1201330 0.86 TSHR (0.52) TSHRTHRBALDH1A1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2011643-B1 Planographic printing plate precursor and printing method using the same FUJIFILM CORP (JP) 2010-10-13 EP disclosed
CN-100475881-C Process for manufacturing polymers ROHM & HAAS (US) 2009-04-08 CN disclosed
CN-1667025-A Polymer carriers and process ROHM & HAAS (US) 2005-09-14 CN disclosed
CN-1590436-A Process for manufacturing polymers ROHM & HAAS (US) 2005-03-09 CN disclosed
CN-1590435-A Process for manufacturing polymers ROHM & HAAS (US) 2005-03-09 CN disclosed
EP-0075004-A1 SILICONE METHACRYLATE HYDROGELS FOR CONTACT LENSES McCARRY, John D. (US) 1983-03-30 EP disclosed
WO-1982003397-A1 SILICONE METHACRYLATE HYDROGELS FOR CONTACT LENSES MCCARRY JOHN D (US) 1982-10-14 WO disclosed