SCHEMBL7864604

SCHEMBL7864604

CC(CC(O)CO)OC(C)CC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 2/20 0.31
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 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
Glycerin SCHEMBL28830316 0.80 LMNA (0.53) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL5851531 0.78 TSHR (0.41) TSHRMAPK1
SCHEMBL8038313 0.77 LMNA (0.38) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL25774072 0.77 LMNA (0.36) LMNAALDH1A1TDP1TSHRTHRB
Glycerin SCHEMBL3433694 0.76 LMNA (0.47) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL271356 0.73
SCHEMBL283526 0.73
SCHEMBL9011742 0.73 MAPK1 (0.40) LMNAALDH1A1TDP1TSHRMAPK1
SCHEMBL28796528 0.73 TSHR (0.50) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL2625315 0.73

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-1071738-A1 SOLID BLOCK ENZYMATIC CLEANING WITH ELECTROLYTIC CONTROL FOR CLEAN-IN-PLACE SYSTEMS ECOLAB INC. (US) 2001-01-31 EP disclosed
US-6017864-A COMBINING INORGANIC SOURCE OF ALKALINITY, CONDENSED PHOSPHATE SEQUESTERING AGENT AND REVERSION INHIBITOR COMPRISING MONOSACCHARIDES OR DISACCHARIDES SELECTED FROM SUCROSE, MALTOSE, LACTOSE; FORMING BLENDED MASS INTO SOLID ECOLAB INC. (US) 2000-01-25 US disclosed
WO-1999047631-A1 SOLID BLOCK ENZYMATIC CLEANING WITH ELECTROLYTIC CONTROL FOR CLEAN-IN-PLACE SYSTEMS ECOLAB INC. (US) 1999-09-23 WO disclosed
WO-1999033948-A1 ALKALINE SOLID BLOCK COMPOSITION ECOLAB INC. (US) 1999-07-08 WO disclosed