SCHEMBL7638142

SCHEMBL7638142

C=C(C)C(=O)OCC(O)(CO)OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3685235 0.79 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL29780391 0.79 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL3684951 0.79 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL812564 0.77 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL9241281 0.77 TSHR (0.44) TSHRTHRBALDH1A1
Ethylene Glycol SCHEMBL17701067 0.76 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL60306 0.76 ALDH1A1 (0.50) TSHRTHRBALDH1A1
SCHEMBL15234 0.76 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL942089 0.76 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL33308 0.76 TSHR (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058724-A1 Contact lens of high water content and high water balance BENZ RESEARCH AND DEVELOPMENT CORPORATION 2002-05-16 US claimed
US-20020019455-A1 Contact lens of high water content and high water balance BENZ RESEARCH AND DEVELOPMENT CORPORATION 2002-02-14 US claimed
EP-1084427-A1 CONTACT LENS OF HIGH WATER CONTENT AND HIGH WATER BALANCE Benz Research and Development Corporation (US) 2001-03-21 EP claimed
WO-1999057582-A1 CONTACT LENS OF HIGH WATER CONTENT AND HIGH WATER BALANCE BENZ RESEARCH AND DEVELOPMENT CORPORATION (US) 1999-11-11 WO claimed