SCHEMBL10100417

SCHEMBL10100417

C=C(C)C(=O)OCCOCC1(CC)COCOC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
TSHR P16473 5/20 0.40
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4644189 0.94 THRB (0.54) THRBTSHRALDH1A1CA1CA2
SCHEMBL14505099 0.93 THRB (0.53) THRBTSHRALDH1A1CA1CA2
SCHEMBL798443 0.87 ALDH1A1 (0.40) THRBTSHRALDH1A1
SCHEMBL26703794 0.86 TSHR (0.50) THRBTSHRALDH1A1
SCHEMBL4644865 0.86 TSHR (0.46) THRBTSHRALDH1A1
SCHEMBL798599 0.84 THRB (0.44) THRBTSHRALDH1A1CA1CA2
SCHEMBL19856425 0.81 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL10100422 0.81 TSHR (0.49) THRBTSHRALDH1A1
SCHEMBL156498 0.81 ALDH1A1 (0.42) THRBTSHRALDH1A1
SCHEMBL27881844 0.80 THRB (0.57) THRBTSHRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140370250-A1 INKJET INK COMPOSITION, INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2014-12-18 US disclosed
US-8752950-B2 Inkjet ink composition, inkjet recording method, and printed material FUJIFILM CORPORATION (JP) 2014-06-17 US disclosed
US-20120026235-A1 INKJET INK COMPOSITION, INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-02-02 US disclosed