1,4-Butanediol

1,4-Butanediol

SCHEMBL8778129

CCCCCCCC[Sn+2]CCCCCCCC.O=C([O-])CS.O=C([O-])CS.OCCCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
FABP3 P05413 5/20 0.37
CA1 P00915 1/20 0.36

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
Thioglycolic Acid SCHEMBL7654255 0.93 CES2 (0.43) KMT2ACES2CES1FABP3CA1
Thioglycolic Acid SCHEMBL6365844 0.93 CES2 (0.43) KMT2ACES2CES1FABP3CA1
SCHEMBL11220734 0.86 FABP3 (0.53) LMNAALDH1A1HSD17B10MEN1KMT2A
Thioglycolic Acid SCHEMBL746612 0.85 CA1 (0.44) CES2CES1FABP3CA1
1,4-Butanediol SCHEMBL13735607 0.84 TSHR (0.45) LMNAALDH1A1HSD17B10MEN1KMT2A
Fumaric Acid SCHEMBL11672387 0.83 FABP3 (0.39) CES2CES1FABP3CA1
Glycolic Acid SCHEMBL25274682 0.83 CES2 (0.44) LMNAALDH1A1HSD17B10CES2CES1
Glycolic Acid SCHEMBL7650210 0.83 CES2 (0.44) LMNAALDH1A1HSD17B10CES2CES1
Mercaptopropionic Acid SCHEMBL11879457 0.81 CA1 (0.44) LMNAALDH1A1HSD17B10MEN1KMT2A
Propionic Acid SCHEMBL9858986 0.81 CES2 (0.46) CES2CES1FABP3CA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405823-A Dye-receiving layer composed of cured polyester, silicone oil, polyisocyanate and organotin catalyst DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1995-04-11 US claimed
EP-0394460-B1 HEAT-SENSITIVE RECORDING MEDIUM DAINIPPON PRINTING CO LTD (JP) 1997-12-29 EP disclosed
EP-0509149-B1 Thermal dye sublimation transfer receiving element AGFA GEVAERT NV (BE) 1996-03-13 EP disclosed
US-5405823-A Dye-receiving layer composed of cured polyester, silicone oil, polyisocyanate and organotin catalyst DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1995-04-11 US disclosed
US-5296446-A Having dye receiving layer formed by crosslinking and curing crosslinkable resin, additive and release agent using organometallic catalyst DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed
US-5284815-A Image-receiving layer containing an isocyanate-based polymer having a crosslinked and cured surface; dyeability; releasability from the dye donor element AGFA-GEVAERT, N.V. (BE) 1994-02-08 US disclosed
EP-0509149-A1 Thermal dye sublimation transfer receiving element AGFA-GEVAERT N.V. (BE) 1992-10-21 EP disclosed
EP-0394460-A1 HEAT-SENSITIVE RECORDING MEDIUM DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1990-10-31 EP disclosed