Butanal

Butanal

SCHEMBL6967348

CCCC(O)CO.CCCC=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.37
DGKA P23743 1/20 0.36
LMNA P02545 3/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 2/20 0.34
PLA2G2C Q5R387 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
AKR1B1 P15121 1/20 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
Glutaral SCHEMBL16606172 0.89 TSHR (0.46) ALDH1A1THRBTSHRDGKALMNA
Formic Acid SCHEMBL28706299 0.84 THRB (0.43) ALDH1A1THRBTSHRDGKALMNA
SCHEMBL62155 0.81
SCHEMBL29157267 0.81 THRB (0.56) ALDH1A1THRBTSHRLMNAUSP2
SCHEMBL2382234 0.81
SCHEMBL2381476 0.81
SCHEMBL6138531 0.79
Propylene Glycol SCHEMBL27949762 0.79 ALDH1A1 (0.60) ALDH1A1TSHRDGKAFAAHAKR1B1
Butanal SCHEMBL27887647 0.79 ALDH1A1 (0.60) ALDH1A1TSHRFAAHTAS1R3TAS1R1
SCHEMBL8652672 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1285086-A2 METHOD FOR DETECTING A DETECTABLE PRODUCT Proteus (FR) 2003-02-26 EP disclosed
WO-2001092563-A2 METHOD FOR DETECTING A DETECTABLE PRODUCT PROTEUS (FR) 2001-12-06 WO disclosed