SCHEMBL6354071

SCHEMBL6354071

CC(O)CO[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
SCHEMBL3422860 0.81 ALDH1A1 (0.36)
SCHEMBL2728056 0.79 ALDH1A1 (0.42)
SCHEMBL29227567 0.79 ALDH1A1 (0.42)
SCHEMBL16914742 0.79 MAPK1 (0.40)
SCHEMBL12433420 0.79 ALDH1A1 (0.42)
SCHEMBL324571 0.79
Nitroglycerin SCHEMBL7608168 0.78 PTGS2 (0.42)
SCHEMBL15668736 0.76
SCHEMBL8386443 0.76
SCHEMBL18243623 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120036424-A Storage-stable mixtures, method for improving the retention of compounds, rice hulls and/or the use of rice hulls for enhancing the retention of compounds 帝斯曼知识产权资产管理有限公司 2025-05-27 CN claimed
CN-117202898-A Novel use 帝斯曼知识产权资产管理有限公司 2023-12-08 CN claimed
CN-117119897-A Use of gossypol and methane inhibitors for reducing the formation of methane resulting from digestive activities of ruminants 帝斯曼知识产权资产管理有限公司 2023-11-24 CN claimed
CN-117120044-A Use of propylene glycol mononitrate and limonene for reducing the formation of methane produced and for improving digestibility 帝斯曼知识产权资产管理有限公司 2023-11-24 CN claimed
CN-111712135-A Storage-stable mixtures 帝斯曼知识产权资产管理有限公司 2020-09-25 CN claimed
CN-111491517-A Storage stable mixture, method for improving compound retention and use of rice hulls and/or rice bran for enhancing compound retention 帝斯曼知识产权资产管理有限公司 2020-08-04 CN claimed
CN-111491624-A Storage-stable mixtures 帝斯曼知识产权资产管理有限公司 2020-08-04 CN claimed
CN-111479562-A Storage-stable mixtures 帝斯曼知识产权资产管理有限公司 2020-07-31 CN claimed
CN-111479561-A Storage-stable mixtures 帝斯曼知识产权资产管理有限公司 2020-07-31 CN claimed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US claimed
US-4718953-A High explosive compound in nitrate salt matrix C-I-L INC. (CA) 1988-01-12 US claimed
US-4094714-A CARBAMIC ACID DERIVATIVE ICI AUSTRALIA LIMITED (AU) 1978-06-13 US claimed
US-4050970-A CARBAMIC ACID DERIVATIVE ICI AUSTRALIA LIMITED (AU) 1977-09-27 US claimed
US-20250270178-A1 METHODS OF PRODUCING A NITRATE ESTER NORTHROP GRUMMAN SYSTEMS CORPORATION 2025-08-28 US disclosed
CN-120036424-A Storage-stable mixtures, method for improving the retention of compounds, rice hulls and/or the use of rice hulls for enhancing the retention of compounds 帝斯曼知识产权资产管理有限公司 2025-05-27 CN disclosed
CN-120036424-A Storage-stable mixtures, method for improving the retention of compounds, rice hulls and/or the use of rice hulls for enhancing the retention of compounds 帝斯曼知识产权资产管理有限公司 2025-05-27 CN disclosed
US-4130449-A GUAR GUM CANADIAN INDUSTRIES LIMITED (CA) 1978-12-19 US disclosed
US-4094714-A CARBAMIC ACID DERIVATIVE ICI AUSTRALIA LIMITED (AU) 1978-06-13 US disclosed
US-4050970-A CARBAMIC ACID DERIVATIVE ICI AUSTRALIA LIMITED (AU) 1977-09-27 US disclosed
US-3881970-A Explosive composition having a liquid hydroxyalkyl nitrate as sensitizer CANADIAN IND 1975-05-06 US disclosed