SCHEMBL536192

SCHEMBL536192

C#CC(I)N(CCCC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX2 P34913 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL9423828 0.93 EPHX2 (0.38) EPHX2
SCHEMBL8961040 0.80 ALDH1A1 (0.36) CA12CA1CA9
SCHEMBL932565 0.76 CA1 (0.36) CA12CA1CA9MMP1MMP2
SCHEMBL1758802 0.72 EPHX2 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL3669268 0.70 CA1 (0.35) CA12CA1CA9MMP1MMP2
SCHEMBL10529104 0.69 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL15513193 0.69 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL16197623 0.69 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL15589936 0.68 CA1 (0.36) CA12CA1CA9MMP1MMP2
SCHEMBL16197622 0.68 CA1 (0.36) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856345-B1 PLASTERBOARDS PROVIDED WITH ANTIMICROBIAL EFFECT LANXESS DEUTSCHLAND GMBH (DE) 2016-01-13 EP claimed
EP-2094090-B1 SYNERGISTIC MICROBICIDAL COMPOSITIONS INCLUDING A CYANODITHIOCARBIMATE AND A SECOND MICROBICIDE, AND METHODS OF USING THE SAME BUCKMAN LABOR INC (US) 2015-03-11 EP claimed
EP-1856345-A2 PLASTERBOARDS PROVIDED WITH ANTIMICROBIAL EFFECT Lanxess Deutschland GmbH & Co.KG (DE) 2007-11-21 EP claimed
WO-2006089654-A2 PLASTERBOARDS PROVIDED WITH ANTIMICROBIAL EFFECT LANXESS DEUTSCHLAND GMBH (DE) 2006-08-31 WO claimed
US-20050042239-A1 Process for preparing biocide formulations LIPIECKI FRANCIS JOSEPH (US) 2005-02-24 US claimed
EP-1508276-A1 Process for preparing biocide formulations in the form of emulsion Rohm and Haas Company (US) 2005-02-23 EP claimed
EP-1206186-B1 MICROBICIDAL COMPOSITIONS AND METHODS USING COMBINATIONS OF PROPICONAZOLE AND N-ALKYL HETEROCYCLES AND SALTS THEREOF BUCKMAN LABOR INC (US) 2004-10-06 EP claimed
EP-0533017-B1 Water based, solvent- and emulsifier-free microbicidal combination of active agents BAYER AG (DE) 1996-10-30 EP claimed
EP-0571846-A1 Agent for the protection of saw wood BAYER AG (DE) 1993-12-01 EP claimed
EP-0547480-A1 Microbicidal agents BAYER AG (DE) 1993-06-23 EP claimed
JP-5058824-A None JP disclosed
EP-4176721-B1 BIOCIDAL POLYMER BLENDS LANXESS DEUTSCHLAND GMBH (DE) 2026-01-07 EP disclosed
EP-4176721-A1 BIOCIDAL POLYMER BLENDS LANXESS Deutschland GmbH (DE) 2023-05-10 EP disclosed
EP-2922397-B1 PRESERVATIVES EDEN RESEARCH PLC (GB) 2020-12-30 EP disclosed
US-10383329-B2 Preservatives EDEN RESEARCH PLC (GB) 2019-08-20 US disclosed
EP-0547480-A1 Microbicidal agents BAYER AG (DE) 1993-06-23 EP disclosed
EP-0533016-A1 Water based, solvent- and emusifierfree microbicidal combination of active agents BAYER AG (DE) 1993-03-24 EP disclosed
JP-H0558824-A ANTIMICROBIAL COMPOSITION COMPRISING IODOPROPARGYL BUTYLCARBAMATE AND 2-MERCAPTOPYRIDINE N-OXIDE AND CONTROL OF MICROBE ROHM & HAAS CO 1993-03-09 JP disclosed
EP-0522393-A1 Microbicidal compositions BAYER AG (DE) 1993-01-13 EP disclosed
JP-H00558824-A 0001-01-01 JP disclosed