Sugi Predict

Sugi Predict / Compounds / Butanal

Butanal

Butanal

SCHEMBL7605729

CCCC=O.O=CCC=O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.80
▸ TSHR P16473 3/20 0.53
▸ ADH1B P00325 3/20 0.43
▸ ADH1A P07327 3/20 0.43
▸ ADH7 P40394 3/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ FAAH O00519 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.39
▸ ADH1C P00326 2/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ ADH4 P08319 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
Butanal SCHEMBL807 0.89 — —
Butanal SCHEMBL597713 0.89 ALDH1A1 (1.00) ALDH1A1TSHRADH1BADH1AADH7
Butanal SCHEMBL9303364 0.89 ALDH1A1 (1.00) ALDH1A1TSHRADH1BADH1AADH7
Butanal SCHEMBL7323870 0.89 — —
Benzene SCHEMBL28318079 0.87 ALDH1A1 (0.80) ALDH1A1TSHRADH1BADH1AADH7
Butanal SCHEMBL23854344 0.86 — —
Butanal SCHEMBL2950600 0.86 — —
Butanal SCHEMBL28908 0.86 — —
Butanal SCHEMBL2049306 0.86 — —
Butanal SCHEMBL21142995 0.86 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837849-B1 PYRIDINE BASE SYNTHESIS REILLY IND INC (US) 2002-03-13 — — EP disclosed