Acetonitrile

Acetonitrile

SCHEMBL3701719

[2H]C([2H])C#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
Acetonitrile SCHEMBL30662442 0.95
Acetonitrile SCHEMBL30662445 0.95
Acetonitrile SCHEMBL31357011 0.78
Acetonitrile SCHEMBL1594871 0.78
Acetonitrile SCHEMBL59423 0.78
Acetonitrile SCHEMBL4020626 0.70
Acetonitrile SCHEMBL1330624 0.68
Acetonitrile SCHEMBL10523138 0.68
Acetonitrile SCHEMBL6693864 0.68
Acetonitrile SCHEMBL1331294 0.68

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084839-A Natural sesquiterpene compound with agricultural pathogenic bacteria resisting effect and preparation method and application thereof 海南医学院 2024-05-28 CN claimed
CN-117164526-A 2- (piperazine-2-yl) acetonitrile derivative, and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2023-12-05 CN claimed
US-12637461-B2 Compounds for the activation of AMPK PFIZER INC. (US) 2026-05-26 US disclosed
US-12577240-B2 Antiviral heteroaryl ketone derivatives PFIZER INC. (US) 2026-03-17 US disclosed
EP-4695226-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2026-02-18 EP disclosed
US-20250346567-A1 SUBSTITUTED PYRIDINE AND PHENYL COMPOUNDS PFIZER INC. (US) 2025-11-13 US disclosed
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
WO-2025224599-A1 PYRROLIDINE-BASED GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-10-30 WO disclosed
US-20250326741-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-10-23 US disclosed
EP-4634169-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF Pfizer Inc. (US) 2025-10-22 EP disclosed
EP-4605076-A1 PATATIN-LIKE PHOSPHOLIPASE DOMAIN-CONTAINING PROTEIN 3 (PNPLA3) MODIFIERS Pfizer Inc. (US) 2025-08-27 EP disclosed
US-9902714-B2 Quinoxaline derivatives useful as FGFR kinase modulators ASTEX THERAPEUTICS LTD (GB) 2018-02-27 US disclosed
US-20170101396-A1 QUINOXALINE DERIVATIVES USEFUL AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2017-04-13 US disclosed
CN-106459010-A Quinoxaline derivatives useful as FGFR kinase modulators 阿斯特克斯治疗有限公司 2017-02-22 CN disclosed
EP-3122742-A1 QUINOXALINE DERIVATIVES USEFUL AS FGFR KINASE MODULATORS Astex Therapeutics Ltd (GB) 2017-02-01 EP disclosed
US-20160354483-A1 COMPOUNDS, CONJUGATES AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-08 US disclosed
US-9353150-B2 Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]-indole-1,4-diones for cancer treatment MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-31 US disclosed
WO-2015144803-A1 QUINOXALINE DERIVATIVES USEFUL AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2015-10-01 WO disclosed
US-20140187500-A1 COMPOUNDS, CONJUGATES AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-03 US disclosed
WO-2010002451-A1 NAPHTHYRIDIN DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed