SCHEMBL21242268

SCHEMBL21242268

C=CC(=O)OCCCCCCCCCCOC(=O)c1ccc(-c2ccc(OCCCCCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.52
HTT P42858 3/20 0.52
RARB P10826 3/20 0.49
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
STS P08842 4/20 0.44

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
SCHEMBL14346684 0.95 HTT (0.48) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL14907537 0.94 THRB (0.59) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL14907530 0.94 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL10078021 0.93 THRB (0.49) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL16425807 0.93 THRB (0.49) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL10078017 0.93 THRB (0.49) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL14088555 0.92 HTT (0.50) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL12650347 0.92 HTT (0.50) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL17301220 0.92 HTT (0.50) ALDH1A1TSHRCYP3A4THRBHTT
SCHEMBL17301205 0.92 HTT (0.50) ALDH1A1TSHRCYP3A4THRBHTT

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-10442931-B2 Dye compound, composition comprising dye compound, and display device using dye compound SAMSUNG DISPLAY CO. LTD. (KR) 2019-10-15 US disclosed
EP-3412734-B1 DYE COMPOUND, COMPOSITION COMPRISING THE DYE COMPOUND, AND DISPLAY DEVICE USING THE DYE COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2019-08-07 EP disclosed