SCHEMBL15219218

SCHEMBL15219218

C=CC(=O)OC(C)(C)C1CC[C@H](CO)O1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL75384 1.00 L3MBTL1 (0.31) L3MBTL1THRATHRBALDH1A1TP53
SCHEMBL17070955 0.86
SCHEMBL16181829 0.80 TSHR (0.30)
SCHEMBL74987 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL20505567 0.74 ALDH1A1 (0.31) THRATHRBALDH1A1
Glycidol SCHEMBL27496988 0.72 ALDH1A1 (0.36) THRATHRBALDH1A1TP53CYP3A4
SCHEMBL76446 0.72 TSHR (0.31) THRATHRB
SCHEMBL672581 0.70 THRB (0.35) THRATHRBALDH1A1TP53CYP3A4
SCHEMBL13992806 0.69 CYP2A6 (0.33)
SCHEMBL12113356 0.69 CYP2A6 (0.33)

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
EP-1403295-B1 Ester compounds, polymers, resist compositions and patterning process SHINETSU CHEMICAL CO (JP) 2014-10-22 EP disclosed
EP-2463714-B1 Basic compound, chemically amplified resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-28 EP disclosed