SCHEMBL287823

SCHEMBL287823

CC(C)CCO[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
Hexadecane SCHEMBL28233258 0.88 ALDH1A1 (0.42)
SCHEMBL13396313 0.87 TDP1 (0.36)
SCHEMBL787360 0.86 CA12 (0.36)
SCHEMBL12136422 0.84 CA12 (0.39)
SCHEMBL1774221 0.82 CA12 (0.40)
SCHEMBL2739353 0.82 CA12 (0.40)
SCHEMBL31605448 0.82 CA12 (0.40)
SCHEMBL18243623 0.81
SCHEMBL11055222 0.79 ALDH1A1 (0.34)
SCHEMBL7572619 0.79 ALDH1A1 (0.34)

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 1621 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660008-B1 COUMARIN OXIME ESTER COMPOUND AND PREPARATION AND USE THEREOF HUBEI GURUN TECH CO LTD (CN) 2025-08-27 EP claimed
EP-4594306-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE PRODUCTION OF REMIBRUTINIB Novartis AG (CH) 2025-08-06 EP claimed
CN-114678591-B Lithium-sulfur battery electrolyte, lithium-sulfur battery and activation method thereof 清华大学 2025-05-30 CN claimed
CN-116075580-B Additive for reducing particulate matter in emissions from diesel fuel and fuel oil combustion and fuel compositions containing the same 佩德拉齐尼化学有限公司 2025-05-27 CN claimed
CN-119998265-A Synthetic methods and intermediates for the production of rebaudinib 诺华股份有限公司 2025-05-13 CN claimed
WO-2025066824-A1 CARBAZOLE OXIME ESTER PHOTOINITIATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 常州强力先端电子材料有限公司 2025-04-03 WO claimed
CN-119707775-A Carbazole oxime ester photoinitiator and preparation method and application thereof 常州强力先端电子材料有限公司 2025-03-28 CN claimed
CN-119432455-A Diesel engine power liquid and preparation method thereof 河北煜福新能源科技有限公司 2025-02-14 CN claimed
CN-119060765-A Diesel oil cleaning synergistic agent for severe cold and anoxic plateau environment 油湃能源环保科技(天津)有限公司 2024-12-03 CN claimed
EP-4200385-B1 ADDITIVE TO REDUCE PARTICULATE MATTER IN EMISSIONS DERIVING FROM THE COMBUSTION OF DIESEL FUEL AND FUEL OIL AND FUEL COMPOSITION THAT CONTAINS IT PEDRAZZINI CHIMICA S R L (IT) 2024-10-16 EP claimed
EP-1079823-A1 COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE BAKER NORTON PHARMACEUTICALS, INC. (US) 2001-03-07 EP claimed
US-6056966-A ORGANIC MONO- OR DINITRATE IN A PHARMACEUTICALLY ACCEPTABLE TOPICAL OR PARENTERAL CARRIER BAKER NORTON PHARMACEUTICALS, INC. (US) 2000-05-02 US claimed
WO-1999059575-A1 COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE BAKER NORTON PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
CN-1182120-A Fuel blend additive PENG JUNSHI (CN) 1998-05-20 CN claimed
EP-0755996-A1 New, additives containing diesel fuel, with low sulphur content, with improved lubricating activity and increased density AGROGEN-STIFTUNG (CH) 1997-01-29 EP claimed
CN-1130672-A Compound additive and method for diesel oil emulsifying and microemulsification GU GUOXING (CN) 1996-09-11 CN claimed
WO-1996025473-A1 DIESEL FUELS BP CHEMICALS (ADDITIVES) LIMITED (GB) 1996-08-22 WO claimed
CN-1075497-A Diesel engine low temperature ignition dope STATE RUN DA GU PING FOREST FA (CN) 1993-08-25 CN claimed
CN-2040775-U MULTIFUNCTION FIRST-AID BOX FOR CORONARY HEART DISEASE SHI QINGMAN (CN) 1989-07-12 CN claimed
US-4240801-A CYCLOPENTADIENYL MANGANESE TRICARBONYL AND ALKYL NITRATE ADDITIVES ETHYL CORPORATION (US) 1980-12-23 US claimed