SCHEMBL24445829

SCHEMBL24445829

O=C(OCC(CO)(CO)COC(=O)C(O)(C(F)(F)F)C(F)(F)F)C(O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL24436786 0.87 ALDH1A1 (0.39) HTTALDH1A1TP53CYP3A4MAPK1
SCHEMBL26548592 0.79 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL24436707 0.77 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL24142154 0.69 HTT (0.48) HTTALDH1A1
SCHEMBL10095089 0.69 POLB (0.30)
SCHEMBL24436923 0.69 HTT (0.32) HTT
SCHEMBL24436922 0.69 LMNA (0.32)
SCHEMBL19478075 0.68 HTT (0.37) HTTALDH1A1
SCHEMBL25633247 0.68 POLB (0.31) HTT
SCHEMBL24436724 0.67 LMNA (0.40) HTTALDH1A1

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
EP-4249461-A1 PHENOL COMPOUND, ELECTROCONDUCTIVE PASTE COMPOSITION, METHOD FOR PRODUCING ELECTROCONDUCTIVE PASTE COMPOSITION, AND ELECTROCONDUCTIVE WIRING LINE AND PRODUCTION METHOD THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-27 EP disclosed
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed