SCHEMBL25771

SCHEMBL25771

COc1ccc(C(O[C]=O)[N+](=O)[O-])cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP2C19 P33261 2/20 0.45
VCP P55072 1/20 0.41
ACHE P22303 4/20 0.39
CYP19A1 P11511 1/20 0.39
PTGS2 P35354 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL9227461 0.79 ALDH1A1 (0.45) ALDH1A1CYP2C19VCPACHECYP19A1
SCHEMBL5373513 0.78 ALDH1A1 (0.47) ALDH1A1CYP2C19VCPACHECYP19A1
SCHEMBL1734014 0.78 CYP2C19 (0.47) ALDH1A1CYP2C19VCPACHECYP19A1
SCHEMBL8505313 0.78 CYP2C19 (0.50) ALDH1A1CYP2C19VCPACHECA1
SCHEMBL7263434 0.77 CYP2C19 (0.49) ALDH1A1CYP2C19VCPACHEPPARG
SCHEMBL10759367 0.76 CYP2C19 (0.50) ALDH1A1CYP2C19VCPACHECYP19A1
Water SCHEMBL7268737 0.74 ALDH1A1 (0.49) ALDH1A1CYP2C19VCPACHECYP19A1
Bromide SCHEMBL7268772 0.74 CYP2C19 (0.49) ALDH1A1CYP2C19VCPACHECYP19A1
SCHEMBL3042994 0.74 CYP2C19 (0.52) ALDH1A1CYP2C19VCPACHECYP19A1
SCHEMBL9261 0.72 GSR (0.40) ALDH1A1MAPTCYP1A2KMT2ANPSR1

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

Appears in 4635 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4378944-A1 COMPOUND HAVING PHOTOCLEAVABLE SITE, LINKER, AND SCREENING METHOD USING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-06-05 EP claimed
WO-2024044657-A1 BIOCATALYSTS AND METHODS THEREOF TESARO, INC. (US) 2024-02-29 WO claimed
EP-4013420-B1 METHOD OF BLOCKING OR AMELIORATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS INC (US) 2023-11-01 EP claimed
EP-3838901-B1 COMPOUND FOR TREATMENT OF RABIES AND METHOD FOR TREATMENT OF RABIES IRIMAJIRI THERAPEUTICS INC (JP) 2023-09-27 EP claimed
EP-4204445-A2 ASSAYS AND REAGENTS FOR CHARACTERIZATION OF MHCI PEPTIDE BINDING GENENTECH, INC. (US) 2023-07-05 EP claimed
US-11673912-B2 Continuous, solvent-free and non-enzymatic peptide synthesis by reactive extrusion CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-13 US claimed
EP-3694853-B1 PROCESS FOR THE PREPARATION OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE ARRAY BIOPHARMA INC (US) 2023-05-17 EP claimed
WO-2023054636-A1 COMPOUND HAVING PHOTOCLEAVABLE SITE, LINKER, AND SCREENING METHOD USING SAME 中外製薬株式会社 2023-04-06 WO claimed
CN-115916791-A Crystalline RET inhibitors 罗索肿瘤学公司 2023-04-04 CN claimed
WO-2023039027-A1 COLIBACTIN DERIVATIVES AND METHODS OF TREATING, AMELIORATING, AND/OR PREVENTING CANCER YALE UNIVERSITY (US) 2023-03-16 WO claimed
WO-2000001711-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2000-01-13 WO claimed
EP-0920440-A2 DETECTION OF NUCLEIC ACID SEQUENCE DIFFERENCES USING THE LIGASE DETECTION REACTION WITH ADDRESSABLE ARRAYS CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-09 EP claimed
WO-1997031256-A2 DETECTION OF NUCLEIC ACID SEQUENCE DIFFERENCES USING THE LIGASE DETECTION REACTION WITH ADDRESSABLE ARRAYS CORNELL RESEARCH FOUNDATION, INC. (US) 1997-08-28 WO claimed
US-5482867-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. (NL) 1996-01-09 US claimed
US-5451683-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. 1995-09-19 US claimed
US-5405783-A Removing photoremovable protective group from region of substrate, contacting with protected amino acid, repeating to form peptide AFFYMAX TECHNOLOGIES N.V. (AN) 1995-04-11 US claimed
US-5252743-A Using cage binding compound AFFYMAX TECHNOLOGIES N.V. (NL) 1993-10-12 US claimed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP claimed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP claimed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO claimed