SCHEMBL29315422

SCHEMBL29315422

C=CC(=O)OCCCCc1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
TSHR P16473 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
THRA P10827 1/20 0.45
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
PTGER1 P34995 3/20 0.40
PTGER4 P35408 3/20 0.40
PTGER3 P43115 3/20 0.40
PTGER2 P43116 3/20 0.40
FOLH1 Q04609 1/20 0.40
PPARA Q07869 1/20 0.40
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL29315429 0.99 TSHR (0.51) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL29315424 0.99 TSHR (0.51) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL29315419 0.96 THRB (0.54) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL27124811 0.91 FOLH1 (0.54) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL20449043 0.90 THRB (0.56) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL19730253 0.88 THRB (0.48) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL19730247 0.87 ALDH1A1 (0.45) THRBTSHRALDH1A1CYP3A4THRA
Carbamic Acid SCHEMBL25276902 0.86 THRB (0.52) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL28499034 0.86 ALDH1A1 (0.53) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL7106399 0.86 THRB (0.55) THRBTSHRALDH1A1CYP3A4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
WO-2022210589-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE 東ソー株式会社 2022-10-06 WO disclosed