SCHEMBL5420732

SCHEMBL5420732

CCCCC(N=C=O)C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CA2 P00918 9/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 4/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
FDPS P14324 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 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
SCHEMBL5420724 0.93 MAPT (0.43) ALDH1A1CA2CA1MAPTTSHR
SCHEMBL4906428 0.82 CA2 (0.45) CA2MAPK1CA1MAPTSLC1A3
SCHEMBL592033 0.82 CA2 (0.45) CA2MAPK1CA1MAPTSLC1A3
SCHEMBL231153 0.81 CA2 (0.47) CA2MAPK1CA1MAPTFDPS
Hydrochloric Acid SCHEMBL8862325 0.81 CA2 (0.44) CA2MAPK1CA1MAPTSLC1A3
SCHEMBL10451509 0.78 CA2 (0.50) CA2MAPK1CA1MAPTTSHR
SCHEMBL10391624 0.78
SCHEMBL10451478 0.78 PDF (0.36) ALDH1A1CA2MAPK1CA1MAPT
SCHEMBL4907463 0.78 CA2 (0.50) CA2MAPK1CA1MAPTTSHR
SCHEMBL3417815 0.78 CA2 (0.38) ALDH1A1CA2MAPK1CA1MAPT

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
US-10870896-B2 Solid, particulate tanning agent preparations LANXESS DEUTSCHLAND GMBH (DE) 2020-12-22 US disclosed
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 disclosed
US-20140123399-A1 SOLID, PARTICULATE TANNING AGENT PREPARATIONS LANXESS DEUTSCHLAND GMBH (DE) 2014-05-08 US disclosed
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 disclosed
US-20070219337-A1 Preparation of storage-stable, isocyanate-functional prepolymers using NCO-functional carbonyl and carbamoyl halides BAYER MATERIALSCIENCE LLC (DE) 2007-09-20 US disclosed
CN-1782098-A Isocyanate-based tanning agents LANXESS DEUTSCHLAND GMBH (DE) 2006-06-07 CN disclosed
US-20060080784-A1 Isocyanate-based tanning agents LANXESS DEUTSCHLAND GMBH (DE) 2006-04-20 US disclosed
US-6521707-B2 (poly)ether amine ester isocyanate derivatives that can be reacted with hydroxy and amino compounds to form urethanes or ureas used in the isolation of nucleic acids BAYER AKTIENGESELLSCHAFT (DE) 2003-02-18 US disclosed
US-20020156228-A1 Isocyanates containing amino groups BAYER AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed
US-6254644-B1 LOW-METAL SALT TANNING WITH A REACTIVE ORGANIC TANNING AGENT, ALDEHYDES OR BISULPHITE-BLOCKED POLYISOCYANATES, AND RETANNING WITH POLYASPARTIC ACID AND/OR POLYASPARTAMIDES, FINISH OF POLYURETHANE AND/OR POLYESTERAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2001-07-03 US disclosed
US-6090871-A POLYISOCYANATE HAVING IONIC GROUPS OR POLYETHER GROUPS AND AT LEAST ONE MEMBER SELECTED FROM THE GROUP CONSISTING OF A NATURALLY OCCURRING POLYMER, A POLYSILOXANE GRAFT COPOLYMER, A WATER-DILUTABLE SYNTHETIC POLYMER AND A CATIONIC POLYMER BAYER AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-5820634-A TREATING LEATHER WITH PRODUCT CONTAINING CARBAMOYL SULFONATE GROUPS FORMED BY REACTING POLYISOCYANANTE WITH POLYETHER ALCOHOL AND MINERAL TANNING AGENT BAYER AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5739249-A POLYUREAURETHANE COPOLYMER BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5618317-A CARBAMOYL SULFONATE GROUP-CONTAINING REACTION PRODUCT OF ORGANIC POLYISOCYANATE, POLYETHER ALCOHOL, AMMONIUM OR ALKALI METAL BISULFITE OR DISULFITE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-08 US disclosed
US-5503714-A POLYISOCYANATES HAVING TERTIARY AMINO OR AMMONIUM GROUPS; WET AND DRY STRENGTH BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
US-4904750-A Ester-urethane derivatives of (meth)-acrylic acid for dental materials BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4745212-A ESTERIFICATION OR AMIDATION OF ISOCYANATOCARBOXYL CHLORIDE BAYER AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed