Butanal

Butanal

SCHEMBL17181558

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.36
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
Butanal SCHEMBL6477363 1.00 ALDH1A1 (0.46) ALDH1A1LMNATSHRSMN1; SMN2TAS1R3
SCHEMBL730338 0.90 LMNA (0.43) LMNATSHRSMN1; SMN2
SCHEMBL20530446 0.90 LMNA (0.43) LMNATSHRSMN1; SMN2
SCHEMBL27924161 0.88 LMNA (0.41) LMNATSHRSMN1; SMN2
Water SCHEMBL6553209 0.88 LMNA (0.41) LMNATSHRSMN1; SMN2
Butanal SCHEMBL19182903 0.87 ALDH1A1 (0.35) ALDH1A1
Butanal SCHEMBL19182905 0.87 ALDH1A1 (0.35) ALDH1A1
Butanal SCHEMBL17181562 0.85 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL17184325 0.81 LMNA (0.32) LMNA
SCHEMBL17184324 0.81 LMNA (0.32) LMNA

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-20170291866-A1 Production of Mixed Aldol Products from the Products of Hydroformylation Reactions Texmark Chemicals, Inc. (US) 2017-10-12 US disclosed
US-9688599-B2 Production of mixed aldol products from the products of hydroformylation reactions Texmark Chemicals, Inc. (US) 2017-06-27 US disclosed
US-20150299081-A1 Production of Mixed Aldol Products from the Products of Hydroformylation Reactions Texmark Chemicals, Inc. (US) 2015-10-22 US disclosed