SCHEMBL532680

SCHEMBL532680

O=C=NCCCC1CCC(CN=C=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
SCHEMBL532566 0.92 CYP1A2 (0.30)
SCHEMBL19847490 0.88
SCHEMBL20717667 0.88
SCHEMBL29853780 0.85 SIGMAR1 (0.31)
SCHEMBL44332 0.82 ALDH1A1 (0.31)
SCHEMBL1081546 0.82 ALDH1A1 (0.31)
SCHEMBL19732912 0.82 ALDH1A1 (0.31)
SCHEMBL1081557 0.82 ALDH1A1 (0.31)
SCHEMBL1590056 0.82
SCHEMBL26413526 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870896-B2 Solid, particulate tanning agent preparations LANXESS DEUTSCHLAND GMBH (DE) 2020-12-22 US claimed
EP-2694689-B1 SOLID PARICULATE MATERIAL BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS DEUTSCHLAND GMBH (DE) 2016-09-14 EP claimed
EP-2694690-B1 SOLID, PARTICULATE TANNING AGENT PREPARATIONS LANXESS DEUTSCHLAND GMBH (DE) 2016-08-31 EP claimed
US-9376729-B2 Compositions comprising at least one compound containing a carbamoyl sulfonate group and use of the same as tanning agents LANXESS DEUTSCHLAND GMBH (DE) 2016-06-28 US claimed
EP-2601317-B1 COMPOSITIONS COMPRISING AT LEAST ONE COMPOUND CONTAINING A CARBAMOYL SULFONATE GROUP AND USE OF THE SAME AS TANNING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2014-12-17 EP claimed
US-20140123399-A1 SOLID, PARTICULATE TANNING AGENT PREPARATIONS LANXESS DEUTSCHLAND GMBH (DE) 2014-05-08 US claimed
EP-2726522-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS Deutschland GmbH (DE) 2014-05-07 EP claimed
EP-2694690-A1 SOLID, PARTICULATE TANNING AGENT PREPARATIONS LANXESS Deutschland GmbH (DE) 2014-02-12 EP claimed
EP-2694689-A1 SOLID, PARTICULATE MATERIAL BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS Deutschland GmbH (DE) 2014-02-12 EP claimed
US-20130288066-A1 COMPOSITIONS COMPRISING AT LEAST ONE COMPOUND CONTAINING A CARBAMOYL SULFONATE GROUP AND USE OF THE SAME AS TANNING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2013-10-31 US claimed
EP-2557181-A1 Method for hydrophobic finishing of substrates containing collagen fibre LANXESS Deutschland GmbH (DE) 2013-02-13 EP claimed
WO-2013001077-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS DEUTSCHLAND GMBH (DE) 2013-01-03 WO claimed
EP-2540753-A1 Compound on the basis of compounds containing carbamoylsulfonate groups LANXESS Deutschland GmbH (DE) 2013-01-02 EP claimed
WO-2012150179-A1 METHOD FOR PRESERVING A SUBSTRATE THAT CONTAINS COLLAGEN FIBRES LANXESS DEUTSCHLAND GMBH (DE) 2012-11-08 WO claimed
WO-2012136559-A1 SOLID, PARTICULATE MATERIAL BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS DEUTSCHLAND GMBH (DE) 2012-10-11 WO claimed
WO-2012136565-A1 SOLID, PARTICULATE TANNING AGENT PREPARATIONS LANXESS DEUTSCHLAND GMBH (DE) 2012-10-11 WO claimed
EP-2508626-A1 Solid, particular tanning agent preparations LANXESS Deutschland GmbH (DE) 2012-10-10 EP claimed
EP-2508627-A1 Solid, particular material on the basis of compounds containing carbamoylsulfonate groups LANXESS Deutschland GmbH (DE) 2012-10-10 EP claimed
WO-2012016907-A1 COMPOSITIONS COMPRISING AT LEAST ONE COMPOUND CONTAINING A CARBAMOYL SULFONATE GROUP AND USE OF THE SAME AS TANNING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-02-09 WO claimed
EP-2415879-A1 Compositions comprising at least one compound containing carbamoylsulfonate groups and their use as tanning agents LANXESS Deutschland GmbH (DE) 2012-02-08 EP claimed