1,4-Butanediol

1,4-Butanediol

SCHEMBL8080202

CC(Cl)(Cl)OC(C)(Cl)Cl.OCCCCO

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL72530 0.77
SCHEMBL8080203 0.76 CYP4F2 (0.43) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL28392323 0.75 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL10494037 0.73
Ethyl Chloride SCHEMBL2769211 0.71 TSHR (0.33) TSHR
SCHEMBL9562300 0.71 CYP4F2 (0.39) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
1,6-Hexanediol SCHEMBL27903227 0.70 TSHR (0.56) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
1,3-Propanediol SCHEMBL7190458 0.69 ALDH1A1 (0.37) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Octanol SCHEMBL3403859 0.69 ALDH1A1 (0.72) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL9653088 0.67 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1

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
US-6156481-A WITH HYDROXYSTYRENE-(METH)ACRYLIC ACID OR (METH)ACRYLATE COPOLYMER WHERE SOME PHENOLIC HYDROXYL GROUPS ARE CROSSLINKED WITH ETHER CONTAINING ACID LABILE GROUPS; DISSOLUTION INHIBITION AND INCREASED DISSOLUTION CONTRAST AFTER EXPOSURE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-12-05 US disclosed