1,4-Butanediol

1,4-Butanediol

SCHEMBL6249116

CC1(O)C=CC(C)(O)C=C1.OCCCCO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
Iodide SCHEMBL4609806 0.75
SCHEMBL823252 0.75
1,4-Butanediol SCHEMBL1477299 0.68
1,4-Butanediol SCHEMBL8734174 0.67
1,4-Butanediol SCHEMBL6708433 0.67
1,4-Butanediol SCHEMBL10709999 0.67
1,4-Butanediol SCHEMBL30932429 0.66
1,4-Butanediol SCHEMBL18642519 0.66 SMN1; SMN2 (0.58) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL324322 0.66 SMN1; SMN2 (0.58) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL18642509 0.66 SMN1; SMN2 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076672-B1 PRODUCTION OF REDUCED GAS-PERMEABLE POLYALKYLENE TEREPHTHALATE FILMS BY STRAIN-INDUCED CRYSTALLIZATION SEALED AIR CORP (US) 2005-08-10 EP disclosed
US-6300469-B1 Production of reduced gas-permeable polyalkylene terephthalate films by strain induced crystallization SEALED AIR CORPORATION (US) 2001-10-09 US disclosed
EP-1076672-A1 PRODUCTION OF REDUCED GAS-PERMEABLE POLYALKYLENE TEREPHTHALATE FILMS BY STRAIN-INDUCED CRYSTALLIZATION Sealed Air Corporation (US) (US) 2001-02-21 EP disclosed
WO-1999050334-A1 PRODUCTION OF REDUCED GAS-PERMEABLE POLYALKYLENE TEREPHTHALATE FILMS BY STRAIN INDUCED CRYSTALLIZATION SEALED AIR CORPORATION (US) (US) 1999-10-07 WO disclosed