1,4-Butanediol

1,4-Butanediol

SCHEMBL7034390

Cc1cccc(Oc2ccccc2)c1.OCCCCO

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GFER P55789 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ACHE P22303 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
LMNA P02545 1/20 0.44
AKR1C3 P42330 1/20 0.44
MAOB P27338 1/20 0.44
LTA4H P09960 1/20 0.44
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
1,4-Butanediol SCHEMBL4599150 0.94 ALDH1A1 (0.56) ALDH1A1GFERHTTTDP1L3MBTL1
Ethylene Glycol SCHEMBL5862906 0.87 ALDH1A1 (0.60) ALDH1A1GFERMAPK1HTTTDP1
SCHEMBL441890 0.87 ALDH1A1 (0.70) ALDH1A1GFERMAPK1HTTTDP1
Diphenylether SCHEMBL10909478 0.87 ALDH1A1 (0.70) ALDH1A1GFERMAPK1HTTTDP1
SCHEMBL19341802 0.85 ALDH1A1 (0.68) ALDH1A1GFERMAPK1HTTTDP1
Hydrochloric Acid SCHEMBL28556055 0.85 ALDH1A1 (0.68) ALDH1A1GFERMAPK1HTTTDP1
Bromide SCHEMBL10791123 0.85 ALDH1A1 (0.68) ALDH1A1GFERMAPK1HTTTDP1
Bromide SCHEMBL10786627 0.85 ALDH1A1 (0.68) ALDH1A1GFERMAPK1HTTTDP1
Hydrochloric Acid SCHEMBL11153798 0.85 ALDH1A1 (0.68) ALDH1A1GFERMAPK1HTTTDP1
Fluoride SCHEMBL27390732 0.85 ALDH1A1 (0.68) ALDH1A1GFERMAPK1HTTTDP1

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-6720287-B2 WHEN AN AROMATIC DICARBOXYLATE IS ENCAPSULATEDTOGETHER WITH THE DIAZONIUM SALT COMPOUND, GENERATION OF PHOTODECOMPOSITION STAIN IS REDUCED AND SHELF LIFE IS IMPROVED FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
US-20030045426-A1 Heat sensitive recording material and microcapsule solution FUJI PHOTO FILM CO., LTD. 2003-03-06 US disclosed