Butanal

Butanal

SCHEMBL6441925

CCCC=O.CCCC=O.CCCC=O.CCCC=O.CCCCO

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
TSHR P16473 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.48
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADH1B P00325 3/20 0.39
ADH1A P07327 3/20 0.39
ADH7 P40394 3/20 0.39
ADH1C P00326 2/20 0.39
HIF1A Q16665 1/20 0.38
EPHX1 P07099 1/20 0.37
ADH4 P08319 1/20 0.37

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
Butanal SCHEMBL1117153 1.00 ALDH1A1 (0.63) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
Butanal SCHEMBL28246839 0.91 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
Dodecanol SCHEMBL8386490 0.90 TSHR (0.62) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
1-Hexanol SCHEMBL20599098 0.90 TSHR (0.62) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
Decanol SCHEMBL21530620 0.90 TSHR (0.62) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
Butanal SCHEMBL9148729 0.87 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
Butanal SCHEMBL2182916 0.86
Butanal SCHEMBL448248 0.86 ALDH1A1 (0.75) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
Butanal SCHEMBL3515924 0.86 ALDH1A1 (0.75) ALDH1A1TSHRSMN1; SMN2FAAHTRPV1
Butanal SCHEMBL7746906 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313466-A4 BIMODAL EMULSIONS OF TAXANES AND BUTYRATE POLYALCOHOL ESTERS ATOSSA HEALTHCARE INC (US) 2005-11-23 EP claimed
EP-1313466-A1 BIMODAL EMULSIONS OF TAXANES AND BUTYRATE POLYALCOHOL ESTERS Atossa Healthcare, Inc. (US) 2003-05-28 EP claimed
WO-2002009695-A1 BIMODAL EMULSIONS OF TAXANES AND BUTYRATE POLYALCOHOL ESTERS ATOSSA HEALTHCARE, INC. (US) 2002-02-07 WO claimed
EP-1313466-A4 BIMODAL EMULSIONS OF TAXANES AND BUTYRATE POLYALCOHOL ESTERS ATOSSA HEALTHCARE INC (US) 2005-11-23 EP disclosed
EP-1313466-A1 BIMODAL EMULSIONS OF TAXANES AND BUTYRATE POLYALCOHOL ESTERS Atossa Healthcare, Inc. (US) 2003-05-28 EP disclosed
WO-2002009695-A1 BIMODAL EMULSIONS OF TAXANES AND BUTYRATE POLYALCOHOL ESTERS ATOSSA HEALTHCARE, INC. (US) 2002-02-07 WO disclosed