1,3-Butanediol

1,3-Butanediol

SCHEMBL7212825

C=CC(=O)O.CC(O)CCO.CCCOCCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 7/20 0.33
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
MAPT P10636 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
Acrylic Acid SCHEMBL7219396 0.88 HSD17B10 (0.45) HSD17B10TDP1TSHRHPGDHCAR2
1,3-Butanediol SCHEMBL4329578 0.86 HSD17B10 (0.47) HSD17B10TDP1TSHRALDH1A1MAPT
1,3-Butanediol SCHEMBL659565 0.86 LMNA (0.46) HSD17B10TDP1TSHRLMNAALDH1A1
1,3-Butanediol SCHEMBL3883350 0.86 LMNA (0.46) HSD17B10TDP1TSHRLMNAALDH1A1
Acrylic Acid SCHEMBL7212826 0.85 THRB (0.42) HSD17B10TDP1TSHRHPGDHCAR2
1,3-Butanediol SCHEMBL20537096 0.84 LMNA (0.40) HSD17B10TSHRLMNAALDH1A1TP53
1,3-Butanediol SCHEMBL873212 0.84 HSD17B10 (0.56) HSD17B10TDP1TSHRALDH1A1MAPT
Methacrylic Acid SCHEMBL7214459 0.83 HSD17B10 (0.41) HSD17B10TDP1TSHRALDH1A1
Acrylic Acid SCHEMBL7786724 0.82 LMNA (0.50) HSD17B10TSHRHPGDHCAR2LMNA
Acrylic Acid SCHEMBL3641809 0.82 LMNA (0.50) HSD17B10TSHRHPGDHCAR2LMNA

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-6624236-B1 Sol-gel-condensable cyclosiloxane(meth) acrylates; dentistry 3M ESPE AG (DE) 2003-09-23 US disclosed
EP-1141094-B1 CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS 3M ESPE AG (DE) 2002-07-24 EP disclosed