Isobutyraldehyde

Isobutyraldehyde

SCHEMBL9246259

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

nearest known ligand 0.39

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 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
Isobutyraldehyde SCHEMBL465239 0.86
Isobutyraldehyde SCHEMBL1486192 0.86
Formic Acid SCHEMBL31753873 0.83 ALDH1A1 (0.33) FFAR3LCKFYNALDH1A1TDP1
Formic Acid SCHEMBL10413302 0.83
SCHEMBL5051122 0.82 LMNA (0.46) FFAR3LCKFYNALDH1A1TDP1
SCHEMBL3226988 0.82
SCHEMBL24113 0.82
Isobutyraldehyde SCHEMBL5367261 0.80 TP53 (0.44) FFAR3LCKFYNTP53
SCHEMBL3287296 0.78
Ammonia Solution, Strong SCHEMBL6841304 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0143371-B2 Process for the optical resolution of racemic mixtures of alpha-naphthyl-propionic acids ALFA CHEM ITAL (IT) 1995-11-02 EP disclosed
EP-0143371-B1 PROCESS FOR THE OPTICAL RESOLUTION OF RACEMIC MIXTURES OF ALPHA-NAPHTHYL-PROPIONIC ACIDS ALFA CHEM ITAL (IT) 1988-02-24 EP disclosed
US-4661628-A Process for the optical resolution of racemic mixtures of α-naphthyl-propionic acids ALFA CHEMICALS ITALIANA S.P.A. (IT) 1987-04-28 US disclosed