SCHEMBL3212979

SCHEMBL3212979

O=[N+]([O-])C1(O)C=CC=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
SCHEMBL27801237 0.73
SCHEMBL2977955 0.70
Ethane SCHEMBL27535133 0.70
SCHEMBL4254172 0.70
SCHEMBL3953572 0.70
SCHEMBL365160 0.70
SCHEMBL9650655 0.70
SCHEMBL30636389 0.69 LMNA (0.30)
SCHEMBL28815353 0.69
SCHEMBL22041718 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117871477-A Fluorescent analysis method for measuring paranitroaniline in water sample 河南师范大学 2024-04-12 CN disclosed
CN-104887675-B Application of [(aryloxy group) (the heteroaryl)] methylpiperidine derivatives in the drug for preparing treatment depression 江苏恩华药业股份有限公司 2018-08-07 CN disclosed
US-8822201-B2 Method for recovering oil from plant seeds AB ENZYMES GMBH (DE) 2014-09-02 US disclosed
US-20100041125-A1 Method for Recovering Oil from Plant Seeds AB ENZYMES GMBH (DE) 2010-02-18 US disclosed
EP-0872475-B1 Inhibiting formation of foulants in acrylonitrile manufacture or recovery NALCO EXXON ENERGY CHEM LP (US) 2003-10-22 EP disclosed
EP-1313882-A2 DIAGNOSIS AND TREATMENT OF PROSTATE CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2003-05-28 EP disclosed
WO-2002018637-A2 DIAGNOSIS AND TREATMENT OF PROSTATE CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2002-03-07 WO disclosed
CN-1273946-A Process for treating sewage water and/or sludge WU ZHENGXIN (CN) 2000-11-22 CN disclosed
EP-0872475-A2 Inhibiting formation of foulants in acrylonitrile manufacture or recovery NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 1998-10-21 EP disclosed
EP-0030964-A4 NEGATIVE CONTROL MEDIA FOR MICROBIOLOGIC BIOCHEMICAL TESTS. FLOW LAB (US) 1981-11-11 EP disclosed
EP-0030964-A1 NEGATIVE CONTROL MEDIA FOR MICROBIOLOGIC BIOCHEMICAL TESTS. FLOW LAB (US) 1981-07-01 EP disclosed
WO-1981000115-A1 NEGATIVE CONTROL MEDIA FOR MICROBIOLOGIC BIOCHEMICAL TESTS MINNESOTA MINING & MFG (US) 1981-01-22 WO disclosed
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 US disclosed