1,4-Butanediol

1,4-Butanediol

SCHEMBL6860324

CCCCCCCCCCCCCCCCC(O)(O)C(=O)O.OCCCCO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
FDPS P14324 8/20 0.42
GGPS1 O95749 5/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42

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
Ethylene Glycol SCHEMBL4458149 0.94 FDPS (0.44) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7172854 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL6056832 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL6056853 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL6056814 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL6056892 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL1990820 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL1916481 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL6056806 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL6056786 0.92 FDPS (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR

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
US-6706502-B2 GENERATING PREFERENTIAL FATTY ACID ESTERS; OBTAIN CHEMICAL INTERMEDIATES, INCUBATE WITH ENZYME, RECOVER FATTY ACID ESTER GOLDSCHMIDT AG (DE) 2004-03-16 US disclosed
US-20020090686-A1 Enzymatic preparation of hydroxy fatty acid esters of polyhydric alcohols which are solid at room temperature GOLDSCHMIDT AG (DE) 2002-07-11 US disclosed