Isobutyraldehyde

Isobutyraldehyde

SCHEMBL5367261

CC(C)C(=O)O.CC(C)C=O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
SLC7A5 Q01650 2/20 0.36
GRIK1 P39086 2/20 0.33
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK5 Q16478 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIK2 Q13002 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
Isobutyraldehyde SCHEMBL1486192 0.86
SCHEMBL30364227 0.86 TP53 (0.57) TP53FFAR3LCKFYNSLC7A5
Isobutyraldehyde SCHEMBL27574493 0.86
Formic Acid SCHEMBL9619050 0.83 TP53 (0.47) TP53SLC7A5GABRPGABRDGABRA1
SCHEMBL11267658 0.83 TP53 (0.47) TP53SLC7A5GABRPGABRDGABRA1
Formic Acid SCHEMBL27452140 0.83
Formic Acid SCHEMBL9619062 0.83 TP53 (0.47) TP53SLC7A5GABRPGABRDGABRA1
Acetaldehyde SCHEMBL8145563 0.83 TP53 (0.47) TP53SLC7A5GABRPGABRDGABRA1
Formic Acid SCHEMBL9619061 0.83 TP53 (0.47) TP53SLC7A5GABRPGABRDGABRA1
Acetaldehyde SCHEMBL50446 0.83

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
US-7176335-B2 Method for producing methacrolein from isobutane BASF AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
CN-1246269-C Method for producing methacrolein from isobutane BASF AG (DE) 2006-03-22 CN disclosed
CN-1219737-C Method for producing methacrolein from isobutane BASF AG (DE) 2005-09-21 CN disclosed
US-6933407-B2 Method for producing methacrylic acid from isobutane BASF AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20040242925-A1 Method for producing methacrylic acid from isobutane BASF AKTIENGESELLSCHAFT (DE) 2004-12-02 US disclosed
US-20040171887-A1 Method for producing methacrolein from isobutane BASF AKTIENGESELLSCHAFT (DE) 2004-09-02 US disclosed
CN-1522236-A Method for producing methacrylic acid from isobutane 巴斯福股份公司 2004-08-18 CN disclosed
CN-1522237-A Method for preparing methacrolein from isobutane �����ɷ� 2004-08-18 CN disclosed