1,4-Butanediol

1,4-Butanediol

SCHEMBL8080206

ClC(Cl)COCC(Cl)Cl.OCCCCO

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8080204 0.87 USP2 (0.38) MEN1KMT2ATSHR
SCHEMBL72531 0.80
SCHEMBL27803037 0.77
1,4-Butanediol SCHEMBL18921198 0.73 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL28698972 0.72 MEN1 (0.58) ALDH1A1MEN1KMT2ATSHR
SCHEMBL28698948 0.72 MEN1 (0.58) ALDH1A1MEN1KMT2ATSHR
SCHEMBL28707281 0.72 MEN1 (0.58) ALDH1A1MEN1KMT2ATSHR
1,6-Hexanediol SCHEMBL3859681 0.71 TSHR (0.42) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL29083545 0.71 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL832715 0.69

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