Acetonitrile

Acetonitrile

SCHEMBL2815212

C1COCO1.CC#N

nearest known ligand 0.00

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⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Oxirane SCHEMBL6008970 0.89
Dioxane SCHEMBL35969 0.85
Dioxane SCHEMBL2549097 0.85 TTR (0.50)
Acetonitrile SCHEMBL11848905 0.85 TTR (0.50)
Water SCHEMBL1359257 0.80
Water SCHEMBL2114572 0.80 TSHR (0.50)
Ethane SCHEMBL25281911 0.76
Thiocyanic Acid SCHEMBL7096503 0.76
SCHEMBL9792991 0.76 TSHR (0.56)
SCHEMBL8123592 0.76 TSHR (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10573892-B2 Negative electrode active material and secondary battery including the same LG CHEM, LTD. (KR) 2020-02-25 US disclosed
EP-3322005-B1 NEGATIVE ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY INCLUDING SAME LG CHEMICAL LTD (KR) 2019-09-11 EP disclosed
US-20180219225-A1 NEGATIVE ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY INCLUDING THE SAME LG CHEM, LTD. (KR) 2018-08-02 US disclosed
EP-3322005-A1 NEGATIVE ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY INCLUDING SAME LG Chem, Ltd. (KR) 2018-05-16 EP disclosed
CN-107534146-A Nonaqueous electrolyte charge storage element negative pole 株式会社杰士汤浅国际 2018-01-02 CN disclosed
US-8658309-B2 Dissociating agents, formulations and methods providing enhanced solubility of fluorides CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-02-25 US disclosed
US-20100266907-A1 METAL AIR BATTERY SYSTEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-10-21 US disclosed
EP-2054961-A2 DISSOCIATING AGENTS, FORMULATIONS AND METHODS PROVIDING ENHANCED SOLUBILITY OF FLUORIDES California Institute of Technology (US) 2009-05-06 EP disclosed
WO-2008105916-A2 DISSOCIATING AGENTS, FORMULATIONS AND METHODS PROVIDING ENHANCED SOLUBILITY OF FLUORIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-09-04 WO disclosed
US-20080171268-A1 DISSOCIATING AGENTS, FORMULATIONS AND METHODS PROVIDING ENHANCED SOLUBILITY OF FLUORIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-07-17 US disclosed
US-6919143-B2 Positive active material composition for lithium-sulfur battery and lithium-sulfur battery fabricated using same SAMSUNG SDI CO., LTD. (KR) 2005-07-19 US disclosed