SCHEMBL15219199

SCHEMBL15219199

C=C(C)C(=O)OCCC(=O)OC1C(O)CC(C)CC1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ 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
SCHEMBL13458358 0.73 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL12650110 0.73 THRB (0.31) THRBTSHR
SCHEMBL27818005 0.73 NAAA (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL25239579 0.72 NAAA (0.50) THRBTSHRALDH1A1HTT
SCHEMBL2466488 0.70 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28411109 0.69 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12270505 0.69 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10293021 0.69 ALDH1A1 (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9615474 0.68 THRB (0.60) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2779559 0.68 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1

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
EP-2463714-B1 Basic compound, chemically amplified resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-28 — — EP disclosed
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