SCHEMBL2098381

SCHEMBL2098381

O=[N+]([O-])c1[c]c[c]cc1

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
SCHEMBL25677 0.70
SCHEMBL28488325 0.68 ALDH1A1 (0.41)
Hydrochloric Acid SCHEMBL11200600 0.68 ALDH1A1 (0.41)
SCHEMBL8650141 0.67 CYP19A1 (0.35)
Hydrazine SCHEMBL8693903 0.67 ALDH1A1 (0.39)
SCHEMBL28139668 0.65 ALDH1A1 (0.55)
SCHEMBL16031 0.65
SCHEMBL2193791 0.65
Water SCHEMBL28995322 0.65 TSHR (0.46)
SCHEMBL867459 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US claimed
US-20240158833-A1 Compositions and Methods for Labeling Modified Nucleotides in Nucleic Acids NEW ENGLAND BIOLABS, INC. (US) 2024-05-16 US disclosed
CN-115710258-A Synthetic method of 3- (3-nitro-1,2,4-triazole-5-yl) -azasdenone 西南科技大学 2023-02-24 CN disclosed
US-20230022745-A1 Methods for Labeling a Population of RNA Molecules NEW ENGLAND BIOLABS, INC. (US) 2023-01-26 US disclosed
CN-115362154-A Preparation method of ferroportin inhibitor 威佛(国际)股份公司 2022-11-18 CN disclosed
CN-113968851-A 3- (3-nitro-1, 2, 4-triazole-5-yl) -azasdeone compound, preparation method and application 西安近代化学研究所 2022-01-25 CN disclosed
CN-108623807-B Responsive polymer nano particle based on cinnamaldehyde and preparation method thereof 温州大学 2020-12-29 CN disclosed
EP-3575309-A1 COMPOSITIONS AND METHODS FOR CAPPING RNA New England Biolabs, Inc. (US) 2019-12-04 EP disclosed
US-10428368-B2 Methods for enriching for a population of RNA molecules NEW ENGLAND BIOLABS, INC. (US) 2019-10-01 US disclosed
EP-3077406-B1 COMPOSITIONS AND METHODS FOR CAPPING RNA NEW ENGLAND BIOLABS INC (US) 2019-07-10 EP disclosed
WO-2005085470-A1 SPECIFIC SUBSTRATES FOR O6- ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2005-09-15 WO disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
US-6863719-B2 Ink jet ink with improved reliability LEXMARK INTERNATIONAL, INC. (US) 2005-03-08 US disclosed
US-20040123773-A1 Ink jet ink with improved reliability FUNAI ELECTRIC CO., LTD (JP) 2004-07-01 US disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 WO disclosed
US-6254669-B1 Bleed reduction agents for ink printing inks ZENECA LIMITED (GB) 2001-07-03 US disclosed
EP-0471454-B1 Reactive pyridone azo dyestuffs ZENECA LTD (GB) 1996-12-04 EP disclosed
EP-0468647-B1 Anionic compounds ZENECA LTD (GB) 1996-03-13 EP disclosed
EP-0468648-B1 Anionic bis(hydroxynaphthylamino) disazo dyestuffs and use thereof for ink jet printing ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5262527-A Disazo dyes suitable for use in ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-16 US disclosed