SCHEMBL7121982

SCHEMBL7121982

N#CC1C=CC=CC1(C#N)[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
SCHEMBL4596370 0.76
SCHEMBL10686044 0.76
SCHEMBL8809949 0.73
SCHEMBL8626715 0.67
SCHEMBL4001380 0.66
SCHEMBL1398443 0.66
SCHEMBL8621472 0.64
SCHEMBL2353911 0.63
SCHEMBL4058875 0.63
SCHEMBL29836870 0.62

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116666585-B Negative electrode material of sodium ion battery, negative electrode plate and sodium ion battery 江苏久泰电池科技有限公司 2023-12-05 CN disclosed
CN-116666585-A Negative electrode material of sodium ion battery, negative electrode plate and sodium ion battery 江苏久泰电池科技有限公司 2023-08-29 CN disclosed
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US disclosed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed
US-5756247-A PHOTOCONDUCTOR OBTAINED BY HYDROXYLATION WITH ACID PASTING GALLIUM PHTHALOCYANINE; CHARGEABILITY, IMAGE; SEMICONDUCTOR LASER PRINTER FUJI XEROX CO., LTD. (JP) 1998-05-26 US disclosed
US-5663327-A Hydroxygallium phthalocyanine crystal, process for producing the same, and electrophotographic photoreceptor containing the same FUJI XEROX CO., LTD. (JP) 1997-09-02 US disclosed