Isobutyraldehyde

Isobutyraldehyde

SCHEMBL8517679

CC(C)C=O.CCOCC

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 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
Ether SCHEMBL18398854 0.80
Isobutyraldehyde SCHEMBL9350918 0.79
Isobutyraldehyde SCHEMBL427264 0.77 LMNA (0.67) LMNA
Ether SCHEMBL7593160 0.76
Ether SCHEMBL7738174 0.75 LMNA (0.44) LMNAALDH1A1TSHR
Isobutyraldehyde SCHEMBL2996 0.75
Isobutyraldehyde SCHEMBL18287436 0.75
Isobutyraldehyde SCHEMBL788159 0.75 ADH1B (0.38) TSHR
Isobutyraldehyde SCHEMBL2635854 0.75 ADH1B (0.38) TSHR
Ether SCHEMBL347669 0.73

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
US-5962507-A BLOCKING CHOLESTEROL BIOSYNTHESIS DR. KARL THOMAE GMBH (DE) 1999-10-05 US disclosed
US-5726205-A ANTICHOLESTEROL AGENTS KARL THOMAE GMBH (DE) 1998-03-10 US disclosed
CN-1057257-A The new intermediate of new imdazole derivatives and method for making thereof, gained, as the application of medicine with contain their pharmaceutical composition ROUSSEL UCLAF (FR) 1991-12-25 CN disclosed