SCHEMBL3849157

SCHEMBL3849157

O=CCC(=O)CCl

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
SCHEMBL5950718 0.79
SCHEMBL5950720 0.79
SCHEMBL28147584 0.76
SCHEMBL28257446 0.73 ALDH1A1 (0.30)
Formaldehyde SCHEMBL5954254 0.73 ALDH1A1 (0.30)
SCHEMBL3055639 0.73
SCHEMBL30570 0.71
SCHEMBL415751 0.71
SCHEMBL415752 0.71
Fluoride SCHEMBL28575904 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-7977359-B2 5-lipdxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
CN-1679595-B Phosphonocephem derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD 2010-05-12 CN disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090221574-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2009-09-03 US disclosed
EP-2080765-A1 Phosphonocephem Derivates, Their Production And Use Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1043327-B1 PHOSPHONOCEPHEM DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-04-29 EP disclosed
US-20080262219-A1 NOVEL CRYSTAL OF 7-[2-[(2-AMINOTHIAZOL-4-YL)-2-HYDROXYIMINOACETAMIDE-3-VINYL-3-CEPHEM-4-CARBOXYLIC ACID (SYN ISOMER) AND METHOD FOR PREPARATION THEREOF IMAI EIJI 2008-10-23 US disclosed
CN-1679595-A Phosphonocephem derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-12 CN disclosed
CN-1194980-C Phosphonocephem derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-30 CN disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
US-4308381-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US disclosed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US disclosed
US-4224441-A Derivatives of 7-aminocephalosporanic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-09-23 US disclosed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US disclosed