SCHEMBL798599

SCHEMBL798599

C=C(C)C(=O)OCCC1(CC)COCOC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL244964 0.94 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL798443 0.84 ALDH1A1 (0.40) THRBTSHRALDH1A1
SCHEMBL10100417 0.84 THRB (0.51) THRBTSHRALDH1A1CA1CA2
SCHEMBL27932384 0.84 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2882858 0.83 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2880741 0.81 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10581539 0.79 ALDH1A1 (0.43) THRBTSHRALDH1A1
SCHEMBL798095 0.79 TSHR (0.45) THRBTSHRALDH1A1
SCHEMBL2885572 0.78 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4644189 0.78 THRB (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248668-B2 Inkjet recording apparatus and inkjet recording method FUJIFILM CORPORATION (JP) 2016-02-02 US disclosed
US-20150231892-A1 INKJET RECORDING APPARATUS AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2015-08-20 US disclosed
US-9010914-B2 Inkjet ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2015-04-21 US disclosed
US-8991994-B2 Ink pack FUJIFILM CORPORATION (JP) 2015-03-31 US disclosed
US-8807728-B2 Inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed
US-20140063149-A1 INK PACK FUJIFILM CORPORATION (JP) 2014-03-06 US disclosed
US-20130016166-A1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2013-01-17 US disclosed
US-20120069082-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed