Acetonitrile

Acetonitrile

SCHEMBL7735748

CC#N.CN(C)P(=O)(N(C)C)N(C)C

nearest known ligand 0.37

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37

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
Water SCHEMBL28784578 0.86 ACHE (0.32) ACHE
Water SCHEMBL27321488 0.86 ACHE (0.32) ACHE
SCHEMBL3277 0.82 MEN1 (0.33)
SCHEMBL10797895 0.82 MEN1 (0.33)
SCHEMBL27346825 0.81 ACHE (0.34) ACHE
Fluoride SCHEMBL29264050 0.78 MEN1 (0.32)
SCHEMBL16269363 0.78 MEN1 (0.32)
SCHEMBL16268590 0.78 MEN1 (0.32)
SCHEMBL28873431 0.78 MEN1 (0.32)
SCHEMBL28653570 0.78 MEN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403779-B1 DISSOLVING NUCLEOSIDE IN APROTIC SOLVENT, COOLING, TREATING WITH BASE, WARMING MIXTURE, COOLING, REACTING WITH REACTIVE ESTER TO EFFECT ALKYLATION ISIS PHARMACEUTICALS, INC. 2002-06-11 US claimed
CN-102753517-A Process for preparing polyalkylated oligoalkylenepolyamines NDSU RES FOUNDATION 2012-10-24 CN disclosed
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-4070360-A ANALGESICS MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4070359-A ISOMERIZATION, CYCLIZATION, ANALGESICS MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4033968-A ANALGESICS MERCK & CO., INC. (US) 1977-07-05 US disclosed