SCHEMBL17285154

SCHEMBL17285154

C=C(C)C(=O)OCCCCOCC1CCCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 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
NAAA Q02083 1/20 0.31
EPHX1 P07099 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SPHK1 Q9NYA1 4/20 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
SCHEMBL1594062 0.86 ALDH1A1 (0.47) TSHRTHRBALDH1A1
SCHEMBL20102833 0.80 TSHR (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL13954671 0.79 ALDH1A1 (0.42) TSHRALDH1A1NAAA
SCHEMBL17281233 0.77 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL13954672 0.77 ALDH1A1 (0.41) TSHRALDH1A1NAAA
SCHEMBL2059846 0.77 THRB (0.54) TSHRTHRBALDH1A1NAAAEPHX1
SCHEMBL2783062 0.76 ALDH1A1 (0.53) TSHRTHRBALDH1A1TDP1EPHX1
SCHEMBL14265332 0.75 ALDH1A1 (0.46) THRBALDH1A1HTTTDP1SPHK1
SCHEMBL13954682 0.75 ALDH1A1 (0.46) THRBALDH1A1HTTTDP1SPHK1
SCHEMBL13954669 0.75 ALDH1A1 (0.46) THRBALDH1A1HTTTDP1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9823391-B2 Non-photosensitive resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-21 US disclosed
US-20150338556-A1 NON-PHOTOSENSITIVE RESIN COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-26 US disclosed