SCHEMBL2451369

SCHEMBL2451369

[CH2]C1C=CC=CC1(C(=O)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
SCHEMBL774896 0.79
SCHEMBL11641869 0.79
Hydrochloric Acid SCHEMBL4021937 0.77
SCHEMBL16466487 0.77 CACNA1F (0.31)
SCHEMBL8815182 0.75 NLRP3 (0.30)
SCHEMBL9564318 0.72
SCHEMBL20337580 0.68
SCHEMBL3126300 0.68
SCHEMBL4811637 0.67
SCHEMBL4021936 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002074176-A1 METHODS FOR MODULATING NEURAL ACTIVITY IN THE RETINA UNIVERSITY OF WASHINGTON (US) 2002-09-26 WO claimed
EP-4292121-A1 MALDI-MS METHOD, PHOTO-SENSITIVE MALDI MATRIX COMPOSITE AND PHOTO-CAGED MALDI MATRIX COMPOUND FOR USE IN SAID METHOD AND RESPECTIVE USES Sirius Fine Chemicals SiChem GmbH (DE) 2023-12-20 EP disclosed
EP-3587585-B1 METHODS, KITS, AND SYSTEMS FOR MULTIPLEXED DETECTION OF TARGET MOLECULES AND USES THEREOF MASSACHUSETTS GEN HOSPITAL (US) 2021-03-24 EP disclosed
EP-3008201-B1 METHODS FOR MULTIPLEXED DETECTION OF TARGET MOLECULES AND USES THEREOF MASSACHUSETTS GEN HOSPITAL (US) 2019-08-07 EP disclosed
WO-2018200462-A1 DRUG CONJUGATES WITH PHOTOCLEAVABLE SOLUBILITY MODULATORS FRIEDMAN SIMON H (US) 2018-11-01 WO disclosed
US-20170340736-A1 PHOTOACTIVATABLE CAGED TAMOXIFEN AND TAMOXIFEN DERIVATIVE MOLECULES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9687548-B2 Photoactivatable caged tamoxifen and tamoxifen derivative molecules and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-27 US disclosed
EP-3008201-A1 METHODS, KITS, AND SYSTEMS FOR MULTIPLEXED DETECTION OF TARGET MOLECULES AND USES THEREOF The General Hospital Corporation (US) 2016-04-20 EP disclosed
US-20150093365-A1 PHOTOACTIVATABLE CAGED TAMOXIFEN AND TAMOXIFEN DERIVATIVE MOLECULES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-02 US disclosed
WO-2014200767-A1 METHODS, KITS, AND SYSTEMS FOR MULTIPLEXED DETECTION OF TARGET MOLECULES AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 WO disclosed
WO-2011116120-A2 METHOD AND APPARATUS FOR ADDRESSABLE FLOW CELLS IN SINGLE MOLECULE SEQUENCING Life Technologies Corporation (US) 2011-09-22 WO disclosed
WO-2008070152-A2 DEEPLY QUENCHED ENZYME SENSORS AND BINDING SENSORS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-06-12 WO disclosed
EP-1407264-B1 CAGED COMPOUND CLEAVING PROCESS CARDIOGENICS INC (CA) 2007-05-09 EP disclosed
EP-1534839-A1 CAGED TETRACYCLINE (DERIVATIVES), THEIR GENERATION, AND THEIR USE FOR PHOTOACTIVATED GENE EXPRESSION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-06-01 EP disclosed
US-20040253726-A1 Caged compound cleaving process GAWAD YAHIA A (CA) 2004-12-16 US disclosed
WO-2004098537-A2 ACTIVATION AGENTS ON THE SURFACE OF ENCAPSULATION VESICLES HEMOLYTICS, INC. (US) 2004-11-18 WO disclosed
EP-1407264-A1 CAGED COMPOUND CLEAVING PROCESS Cardiogenics Inc. (CA) 2004-04-14 EP disclosed
WO-2004018686-A1 CAGED TETRACYCLINE (DERIVATIVES), THEIR GENERATION, AND THEIR USE FOR PHOTOACTIVATED GENE EXPRESSION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-03-04 WO disclosed
WO-2003008969-A1 CAGED COMPOUND CLEAVING PROCESS CARDIOGENICS INC. (CA) 2003-01-30 WO disclosed
WO-2002074176-A1 METHODS FOR MODULATING NEURAL ACTIVITY IN THE RETINA UNIVERSITY OF WASHINGTON (US) 2002-09-26 WO disclosed