SCHEMBL3064340

SCHEMBL3064340

O=[N+]([O-])C1(CC(F)(F)F)C=CC(O)=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
SCHEMBL29420227 0.80
SCHEMBL28610209 0.70
SCHEMBL28370849 0.70
SCHEMBL31588179 0.68
SCHEMBL28176113 0.67
SCHEMBL28476783 0.67
SCHEMBL28720768 0.65
SCHEMBL21373893 0.64
SCHEMBL10747055 0.61 AKR1B1 (0.32)
SCHEMBL21642662 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693552-B2 Compositions and methods for target delivering a bioactive agent to aquatic organisms ADVANCED BIONUTRITION CORPORATION (US) 2017-07-04 US disclosed
US-9414590-B2 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS, INC. (US) 2016-08-16 US disclosed
CN-102404993-B For controlling molluscan chemical agent and biology agent MARRONE BIO INNOVATIONS, INC. (US) 2015-08-26 CN disclosed
US-8968723-B2 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS, INC. (US) 2015-03-03 US disclosed
CN-104144607-A COMPOSITIONS AND METHODS FOR TARGET DELIVERING A BIOACTIVE AGENT TO AQUATIC ORGANISMS ADVANCED BIONUTRITION CORP 2014-11-12 CN disclosed
CN-103269596-A Agents for the control of limnoperna SP. MARRONE BIO INNOVATIONS INC 2013-08-28 CN disclosed
US-20130196013-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2013-08-01 US disclosed
US-20130121978-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2013-05-16 US disclosed
CN-102404993-A Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS INC 2012-04-04 CN disclosed
US-20100266717-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-21 US disclosed