Butanal

Butanal

SCHEMBL3772282

CCCC=O.CCCCc1ccccc1N

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TLR8 Q9NR97 2/20 0.40
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.38
LIPG Q9Y5X9 1/20 0.38
HSD17B10 Q99714 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SKP2 Q13309 1/20 0.34

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
SCHEMBL44325 0.86 TLR8 (0.49) ALDH1A1TLR8CYP2C9CYP3A4CYP2D6
SCHEMBL29573660 0.86 TLR8 (0.49) ALDH1A1TLR8CYP2C9CYP3A4CYP2D6
SCHEMBL11193980 0.84 SIGMAR1 (0.39) ALDH1A1TLR8CYP3A4TSHRHSD17B10
Hydrochloric Acid SCHEMBL8802566 0.84 TLR8 (0.47) ALDH1A1TLR8CYP2C9CYP3A4CYP2D6
Water SCHEMBL27895345 0.84 TLR8 (0.47) ALDH1A1TLR8CYP2C9CYP3A4CYP2D6
Methylamine SCHEMBL27652474 0.84 TLR8 (0.47) ALDH1A1TLR8CYP2C9CYP3A4CYP2D6
SCHEMBL312280 0.81 SIGMAR1 (0.37) CYP3A4TSHRLIPGHSD17B10THRA
SCHEMBL96898 0.80 TSHR (0.50) CYP2C9CYP3A4CYP2D6TSHRLIPG
SCHEMBL3345733 0.80 TSHR (0.44) TLR8CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL30845912 0.80 TSHR (0.44) TLR8CYP2C9CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007018394-A9 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG CHEM, LTD. (KR) 2010-12-02 WO claimed
EP-1913081-A1 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG Chem. Ltd. (KR) 2008-04-23 EP claimed
WO-2007018394-A1 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG CHEM, LTD. (KR) 2007-02-15 WO claimed
US-20070037929-A1 Highly elastic polyvinyl chloride composition and products prepared using the same LG CHEM, LTD (KR) 2007-02-15 US claimed
WO-2007018394-A9 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG CHEM, LTD. (KR) 2010-12-02 WO disclosed
EP-1913081-A1 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG Chem. Ltd. (KR) 2008-04-23 EP disclosed
WO-2007018394-A1 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG CHEM, LTD. (KR) 2007-02-15 WO disclosed
US-20070037929-A1 Highly elastic polyvinyl chloride composition and products prepared using the same LG CHEM, LTD (KR) 2007-02-15 US disclosed