SCHEMBL1122744

SCHEMBL1122744

CC(C)(C)[N+](=O)[O-]

nearest known ligand 0.00

⚠ 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
SCHEMBL1330527 1.00
SCHEMBL3635527 0.96
Ammonia Solution, Strong SCHEMBL14248697 0.96
Methylamine SCHEMBL11518045 0.92
SCHEMBL28804352 0.86 ALDH1A1 (0.47)
Ethylamine SCHEMBL11516940 0.83 ALDH1A1 (0.45)
SCHEMBL1119156 0.78
SCHEMBL186676 0.78 ALDH1A1 (0.56)
SCHEMBL3306963 0.78 ALDH1A1 (0.56)
SCHEMBL11522543 0.78 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024143106-A1 STABILIZED ALKYL-BROMIDE-COMPOUND-CONTAINING LIQUID COMPOSITION AND USE FOR SAME 東ソー株式会社 2024-07-04 WO claimed
WO-2023089225-A1 EXTRACTION OF PEPTIDES AND GLUCOSINOLATES FROM PLANT MATERIAL OF THE BRASSICA GENUS AND USE THEREOF IN COSMETIC APPLICATIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2023-05-25 WO claimed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN claimed
CN-110950907-B Beta-phosphoryl oxime free radical compound and preparation method thereof 江苏强盛功能化学股份有限公司 2022-03-15 CN claimed
CN-112574054-A Efficient nitriding reagent and application thereof 北京大学 2021-03-30 CN claimed
CN-110950907-A β -phosphoryl oxime free radical compound and preparation method thereof 江苏强盛功能化学股份有限公司 2020-04-03 CN claimed
US-10305013-B2 Electrolyte solution for thermoelectric device and thermoelectric device including the electrolyte solution PUSAN NATIONAL UNIVERSITY INDUSTRY UNIVERSITY COOPERATION FOUNDATION OF PUSAN (KR) 2019-05-28 US claimed
EP-3362437-A1 METHOD FOR SYNTHESISING AROMATIC NITRONES Arkema France (FR) 2018-08-22 EP claimed
CN-107573378-A β -hydroxyiminophosphono derivatives and preparation method thereof 江苏强盛功能化学股份有限公司 2018-01-12 CN claimed
US-20170207378-A1 ELECTROLYTE SOLUTION FOR THERMOELECTRIC DEVICE AND THERMOELECTRIC DEVICE INCLUDING THE ELECTROLYTE SOLUTION PUSAN NATIONAL UNIVERSITY INDUSTRY UNIVERSITY COOPERATION FOUNDATION OF PUSAN (KR) 2017-07-20 US claimed
EP-2082005-B1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2012-08-01 EP claimed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US claimed
EP-1037873-B1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-22 EP claimed
US-6211410-B1 PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST Consortium für elektrochemische Industrie GmbH (DE) 2001-04-03 US claimed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP claimed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO claimed
US-5104411-A Highly compressed pulp; absorbent, retentive; sanitary napkins, disposable diapers MCNEIL-PPC, INC. (US) 1992-04-14 US claimed
EP-0209884-B1 FREEZE DRIED, CROSS-LINKED MICROFIBRILLATED CELLULOSE PERSONAL PRODUCTS COMPANY (US) 1990-10-03 EP claimed
US-4709107-A Process for producing nitrones GENERAL ELECTRIC COMPANY (US) 1987-11-24 US claimed
EP-0209884-A2 Freeze dried, cross-linked microfibrillated cellulose PERSONAL PRODUCTS COMPANY (US) 1987-01-28 EP claimed