Trimethyl Phosphate

Trimethyl Phosphate

SCHEMBL6895009

CCN(CC)S(=O)(=O)N(CC)CC.COP(=O)(OC)OC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
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
SCHEMBL381097 0.79 CA1 (0.56) CA1LMNAHTTSMN1; SMN2NPC1
Trimethyl Phosphate SCHEMBL6812461 0.70 CYP3A4 (0.43) CA1LMNACA2ALDH1A1TSHR
Trimethyl Phosphate SCHEMBL19941 0.69
Bicarbonate SCHEMBL4462088 0.69 CA1 (0.46) CA1LMNAHTTSMN1; SMN2NPC1
Trimethyl Phosphate SCHEMBL7705188 0.66
Trimethyl Phosphate SCHEMBL5191073 0.66
Trimethyl Phosphate SCHEMBL4250452 0.66
Trimethyl Phosphate SCHEMBL298751 0.66
Trimethyl Phosphate SCHEMBL7624809 0.66
Trimethyl Phosphate SCHEMBL2356992 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040081894-A1 R1(CH2CH2O)nR2, where n is 1-10 and R1 and R2 are alkyl, alkoxy, substituted alkyl, or substituted alkoxy groups; and an oxidizer POLYPLUS BATTERY COMPANY 2004-04-29 US claimed
EP-1021849-B1 LIQUID ELECTROLYTE LITHIUM-SULFUR BATTERIES POLYPLUS BATTERY CO INC (US) 2003-01-22 EP claimed
US-6225002-B1 AS AN ELECTROLYTE COSOLVENT, POLYPLUS BATTERY COMPANY, INC. 2001-05-01 US claimed
WO-2000046870-A1 DIOXOLANE AS A PROTECTOR FOR LITHIUM ELECTRODES POLYPLUS BATTERY COMPANY, INC. (US) 2000-08-10 WO claimed
US-6030720-A ELECTROLYTE SOLVENTS FOR AMBIENT-TEMPERATURE LITHIUM-SULFUR BATTERIES INCLUDING AT LEAST ONE ETHOXY REPEATING UNIT COMPOUND POLYPLUS BATTERY CO., INC. (US) 2000-02-29 US claimed