SCHEMBL29072173

SCHEMBL29072173

CC(C)OP(=O)(O)OP(=O)(OC(C)C)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.40
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FDPS P14324 1/20 0.30
BLM P54132 1/20 0.30
POLB P06746 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
SCHEMBL1071892 0.87 CTSA (0.46) CTSAACHETDP1KDM4EALDH1A1
SCHEMBL2869107 0.82 TDP1 (0.45) CTSAACHETDP1KDM4EALDH1A1
SCHEMBL268599 0.81 CTSA (0.50) CTSAACHETDP1KDM4EALDH1A1
SCHEMBL3628442 0.81 CTSA (0.50) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL19977202 0.80 CTSA (0.40) CTSAACHETDP1KDM4EALDH1A1
SCHEMBL28777336 0.80 TDP1 (0.43) CTSAACHETDP1KDM4EALDH1A1
SCHEMBL28777328 0.80 TDP1 (0.43) CTSAACHETDP1KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27383501 0.78 CTSA (0.48) CTSAACHETDP1KDM4EALDH1A1
Fluoride SCHEMBL27256559 0.78 CTSA (0.48) CTSAACHETDP1KDM4EALDH1A1
Phosphoric Acid SCHEMBL11317927 0.78 CTSA (0.48) CTSAACHETDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116762811-A Special identification behavior interfering agent compound product for solenopsis invicta 云南农业大学 2023-09-19 CN disclosed