SCHEMBL7594136

SCHEMBL7594136

C=C(C)C(=O)OCO.C=C(CC=C(C)C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.35
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15512400 0.88 THRB (0.40) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL1171643 0.83 ALDH1A1 (0.52) TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL9931511 0.82 ALOX15 (0.34)
SCHEMBL15017599 0.82 ALOX15 (0.37)
SCHEMBL212197 0.82 ALOX15 (0.37)
SCHEMBL7592646 0.80 ALDH1A1 (0.68) TSHRALDH1A1
Methacrylic Acid SCHEMBL3300789 0.78 TSHR (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL1756491 0.78 ALDH1A1 (0.38) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL8584132 0.77 ALDH1A1 (0.40) TSHRALDH1A1THRB
SCHEMBL8431539 0.77 ALDH1A1 (0.52) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6447973-B1 COMPRISING A CARRIER LIQUID OF SILICON OIL, TONER PARTICLES, AND AN ERUCAMIDE COMPOUND TO PREVENT TONER FROM DEPOSITING ON THE FIXATION ROLLER RICOH COMPANY, LTD. (JP) 2002-09-10 US disclosed