Acetaldehyde

Acetaldehyde

SCHEMBL4462740

CC=O.CCCCCC(C)(C)c1ccc(O)cc1

nearest known ligand 0.52

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
CNR2 P34972 15/20 0.49
CNR1 P21554 7/20 0.47
SHBG P04278 1/20 0.46

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
SCHEMBL18671 0.91 ESR1 (0.60) ESR1ESR2CNR2CNR1SHBG
Formaldehyde SCHEMBL290372 0.90 ESR1 (0.55) ESR1ESR2CNR2CNR1SHBG
SCHEMBL3445177 0.90 CNR2 (0.58) ESR1ESR2CNR2CNR1SHBG
SCHEMBL27813196 0.90 CNR2 (0.58) ESR1ESR2CNR2CNR1SHBG
SCHEMBL678357 0.90 CNR2 (0.58) ESR1ESR2CNR2CNR1SHBG
SCHEMBL3720371 0.90 CNR2 (0.58) ESR1ESR2CNR2CNR1SHBG
SCHEMBL20500878 0.90 CNR2 (0.58) ESR1ESR2CNR2CNR1SHBG
SCHEMBL10890723 0.90 CNR2 (0.58) ESR1ESR2CNR2CNR1SHBG
SCHEMBL11458056 0.86 CNR2 (0.64) ESR1ESR2CNR2CNR1SHBG
SCHEMBL199439 0.86 ESR1 (0.68) ESR1ESR2CNR2CNR1SHBG

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
US-20090004484-A1 Resine Composition For Printed Circuit Board And Composite Substrate And Copper Laminates Using The Same DOOSAN CORPORATION (KR) 2009-01-01 US claimed
US-20090004484-A1 Resine Composition For Printed Circuit Board And Composite Substrate And Copper Laminates Using The Same DOOSAN CORPORATION (KR) 2009-01-01 US disclosed