SCHEMBL9066252

SCHEMBL9066252

C=C(CC(=O)O)C(=O)OCC1CO1.C=CCOCC1CO1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGLL Q99685 3/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL221572 0.87 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4MGLL
Methane SCHEMBL5161235 0.85 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MGLL
SCHEMBL352515 0.83 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4MGLLTSHR
Propane SCHEMBL9858098 0.83 ALDH1A1 (0.60) ALDH1A1TP53CYP3A4MGLL
SCHEMBL11496080 0.82 ALDH1A1 (0.73) ALDH1A1TP53CYP3A4TSHR
Ether SCHEMBL9070563 0.82 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MGLL
Bicarbonate SCHEMBL3805137 0.81 ALDH1A1 (0.81) ALDH1A1TP53CYP3A4MGLLTSHR
Ethane SCHEMBL22325466 0.81 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4MGLLTSHR
Methane SCHEMBL4243271 0.81 ALDH1A1 (0.71) ALDH1A1TP53CYP3A4TSHR
Methacrylic Acid SCHEMBL31425217 0.80 ALDH1A1 (0.66) ALDH1A1TP53CYP3A4ALOX15HSD17B10

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-0545902-B1 Thermoplastic resin composition TONEN SEKIYUKAGAKU KK (JP) 1996-12-27 EP disclosed
EP-0545902-A2 Thermoplastic resin composition TONEN SEKIYUKAGAKU K.K. (JP) 1993-06-09 EP disclosed
US-5021504-A Blends with ethylene-propylene-styrene block copolymer; engineering plastics; heat, chemical, solvent resistant; impact strength TONEN SEKIYUKAGAKU KABUSHIKI KAISHA (JP) 1991-06-04 US disclosed
EP-0308179-A2 Thermoplastic resin composition TONEN SEKIYUKAGAKU K.K. (JP) 1989-03-22 EP disclosed