SCHEMBL20143340

SCHEMBL20143340

C=CC(=O)OCC(COC(=O)C(C)=O)COC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL16609322 0.93 TSHR (0.38) TSHRTP53CYP3A4
SCHEMBL28029410 0.83 TSHR (0.46) TSHRTP53CYP3A4
SCHEMBL1151516 0.77 TSHR (0.41) TSHRTP53CYP3A4
SCHEMBL6430337 0.77 TSHR (0.49) TSHRTP53CYP3A4
SCHEMBL27641855 0.77 TSHR (0.39) TSHRTP53CYP3A4
SCHEMBL19088718 0.76 TSHR (0.47) TSHRTP53CYP3A4
SCHEMBL13779731 0.76 TSHR (0.44) TSHRTP53CYP3A4
SCHEMBL35406 0.76 TSHR (0.47) TSHRTP53CYP3A4
SCHEMBL6930399 0.75 TSHR (0.33) TSHRTP53CYP3A4
SCHEMBL27967541 0.74 TSHR (0.46) TSHRTP53CYP3A4

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-9971066-B2 Polarizing plate LG CHEM, LTD (KR) 2018-05-15 US disclosed
US-9971066-B2 Polarizing plate LG CHEM, LTD (KR) 2018-05-15 US disclosed