SCHEMBL905943

SCHEMBL905943

O=C(O)C1C=CC=CC1(O)[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
SCHEMBL6396903 0.80
SCHEMBL29448241 0.78
SCHEMBL22497382 0.78
SCHEMBL1208278 0.78
SCHEMBL5196121 0.76
SCHEMBL774896 0.76
SCHEMBL3825681 0.76
SCHEMBL2458974 0.76
SCHEMBL8931197 0.75
Hydrochloric Acid SCHEMBL4021937 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105833843-B A kind of administering method of the leather-making waste water containing chromium based on light-magnetic double-response nano adsorber 四川大学 2018-05-15 CN disclosed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 US disclosed
EP-2155670-B1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2012-04-18 EP disclosed
EP-2277869-A1 Cycloalkylamidbenzoxa(thia)zoles as fungicides Bayer CropScience AG (DE) 2011-01-26 EP disclosed
EP-2277868-A1 Phenyloxy(thio)phenylamidbenzoxa(thia)zoles Bayer CropScience AG (DE) 2011-01-26 EP disclosed
WO-2010149283-A2 PHENYLOXY(THIO)PHENYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed
WO-2010149309-A2 CYCLOALKYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed
CN-101772485-A Anti -inflammatory substituted cyclobutenedione compounds NOVARTIS AG 2010-07-07 CN disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2155670-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 WO disclosed
EP-0261503-B1 HETEROCYCLIC AMIDO DERIVATIVES OF SUBSTITUTED BENZOIC ACIDS AND THERAPEUTIC COMPOSITIONS WHICH CONTAIN THEM AS ACTIVE PRINCIPLE VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1992-04-15 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed
EP-0261503-A1 Heterocyclic amido derivatives of substituted benzoic acids and therapeutic compositions which contain them as active principle VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1988-03-30 EP disclosed