SCHEMBL349091

SCHEMBL349091

O=[N+]([O-])C1=CC[CH]C=C1

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
SCHEMBL18568339 0.80 ALDH1A1 (0.31)
SCHEMBL2937547 0.76
SCHEMBL12195354 0.70 GPR35 (0.31)
SCHEMBL17735456 0.67
SCHEMBL11938776 0.66 POLB (0.32)
SCHEMBL4422198 0.65
SCHEMBL378762 0.65
SCHEMBL11820953 0.64
SCHEMBL7701653 0.64 GSK3A (0.32)
SCHEMBL1846174 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206723-A1 BIOLOGICAL INDICATOR American Sterilizer Company (US) 2017-08-23 EP claimed
WO-2016060714-A1 BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2016-04-21 WO claimed
EP-2718459-A2 COMPETITION-BASED DETECTION ASSAYS Shire Human Genetic Therapies, Inc. (US) 2014-04-16 EP claimed
US-20140038181-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES, INC. 2014-02-06 US claimed
WO-2012170870-A2 COMPETITION BASED-DETECTION ASSAYS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2012-12-13 WO claimed
WO-2012166848-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF FUNCTIONAL CLOSTRIDIUM DIFFICILE TOXINS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-06 WO claimed
EP-2507629-A1 ENZYMATIC ACTIVITY-BASED DETECTION Shire Human Genetic Therapies (US) 2012-10-10 EP claimed
WO-2012094343-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES (US) 2012-07-12 WO claimed
EP-1945208-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION University of Massachusetts (US) 2008-07-23 EP claimed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 US claimed
WO-2007044565-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION UNIVERSITY OF MASSACHUSETTS (US) 2007-04-19 WO claimed
CN-1422262-A 2-benzothiazolyl urea derivatives and their use as protein kinase inhibitors ABBOTT GMBH & CO KG (DE) 2003-06-04 CN claimed
EP-0233733-A2 Process for producing N-phthaloyl-p-nitro-L-phenylalanine KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-08-26 EP claimed
US-20240140980-A1 HETEROCYCLIC INHIBITORS OF CD73 FOR TREATMENT OF DISEASE TEON THERAPEUTICS, INC. 2024-05-02 US disclosed
WO-2024086663-A1 ETHER LIPIDS FOR HYPERACTIVATION OF MAMMALIAN DENDRITIC CELLS CORNER THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
WO-2024076873-A1 HETEROCYCLIC INHIBITORS OF CD73 FOR TREATMENT OF DISEASE TEON THERAPEUTICS, INC. (US) 2024-04-11 WO disclosed
EP-0002236-A1 Peptides, their salts, their acid addition salts, pharmaceutical formulations containing them and their use as morphine antagonists and anaesthetics THE WELLCOME FOUNDATION LIMITED (GB) 1979-06-13 EP disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4006137-A ANTHELMINTIC E. R. SQUIBB & SONS, INC. (US) 1977-02-01 US disclosed
US-3978079-A DIPHTHALIMIDO, DISUCCINIMIDO AND DIMALEIMIDO OXALATES AMERICAN CYANAMID COMPANY (US) 1976-08-31 US disclosed