SCHEMBL8965554

SCHEMBL8965554

C=CC(=O)OC(C)(C)OC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.39
ALDH1A1 P00352 7/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.35
LMNA P02545 1/20 0.33
FGFR4 P22455 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
SCHEMBL9862055 0.93 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11333311 0.93 HCAR2 (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9862049 0.93 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8597407 0.91 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27908895 0.89 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1068177 0.87 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29156653 0.85 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11333346 0.85 HCAR2 (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11333320 0.85 HCAR2 (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28007307 0.85 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ACYP3A4

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
CN-115542668-A Photosensitive resin composition 东京应化工业株式会社 2022-12-30 CN disclosed
EP-3608359-A1 METHOD FOR PREPARING SUPERABSORBENT POLYMER LG Chem, Ltd. (KR) 2020-02-12 EP disclosed
US-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed