SCHEMBL585138

SCHEMBL585138

CNC(=O)OCC(N)=S

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
SCHEMBL13324711 0.81
SCHEMBL5245672 0.79
SCHEMBL13324721 0.76 CHRNB2 (0.45)
SCHEMBL14067812 0.73 CHRNB2 (0.46)
SCHEMBL12199649 0.73
SCHEMBL6618960 0.73
SCHEMBL27984637 0.73 CHRNB2 (0.42)
SCHEMBL14587489 0.72 CHRNB2 (0.38)
SCHEMBL20509359 0.72
SCHEMBL27551378 0.71 MGAM (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417287-A1 A TEXTILE PRODUCT (E.G. AN INSECTICIDE NET) Intelligent Insect Control (FR) 2012-02-15 EP disclosed
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
EP-1883645-B1 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC (CA) 2011-06-29 EP disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 US disclosed
US-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-04-28 US disclosed
US-7910568-B2 Inflammatory bowel disease, irritable bowel syndrome, Crohn's disease, ulcerative colitis, gastrointestinal disorders; prevention/treatment of colon cancer; releases hydrogen sulfide ANTIBE THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7879827-B2 such as 5-amino-2-(2-Acetylamino-3-mercapto-propionyloxy)-benzoic acid, useful for the treatment of gastrointestinal disorders such as inflammatory bowel disease and irritable bowel syndrome, and for the prevention/treatment of colon cancer ANTIBE THERAPEUTICS INC. (CA) 2011-02-01 US disclosed
WO-2010115709-A1 A TEXTILE PRODUCT (E.G. AN INSECTICIDE NET) INTELLIGENT INSECT CONTROL (FR) 2010-10-14 WO disclosed
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2009-09-17 US disclosed
US-7498355-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2009-03-03 US disclosed
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid ANTIBE THERAPEUTICS INC. (CA) 2008-08-28 US disclosed
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2007-08-23 US disclosed
US-5763462-A 1,1-DIMETHYL-4,4'-DIPYRIDIUM DICHLORIDE HERBICIDE WITH ORGANIC PHOSPHATE ACTIVATOR KAO CORPORATION (JP) 1998-06-09 US disclosed
EP-0004758-B1 INSECTICIDAL COMPOSITIONS, AND PREPARATION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-30 EP disclosed
EP-0008207-B1 INSECTICIDAL COMPOSITIONS, AND PREPARATION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-02 EP disclosed
EP-0004758-A2 Insecticidal compositions, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-10-17 EP disclosed