SCHEMBL459601

SCHEMBL459601

CCc1ccc2c(N)c(CC)ccc2c1N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HTT P42858 2/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
GAA P10253 1/20 0.34
CTRC Q99895 1/20 0.33
FEN1 P39748 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
DHFR P00374 1/20 0.31
HSD17B3 P37058 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL12797849 0.85 POLB (0.41) POLBHTTGABRA1GABRB2GAA
SCHEMBL1412111 0.85 ALDH1A1 (0.52) POLBALDH1A1MAPT
SCHEMBL29199935 0.85 POLB (0.33) POLBHTTALDH1A1MAPT
SCHEMBL28883400 0.82 NR4A2 (0.48) ALDH1A1
SCHEMBL1556062 0.77 NCEH1 (0.45) POLBGAAALDH1A1MAPT
SCHEMBL393531 0.76 POLB (0.35) POLBHTTGABRA1GABRB2CTRC
SCHEMBL833911 0.75 TYR (0.44) HTTGABRA1GABRB2GAACTRC
SCHEMBL262868 0.74 GABRA1 (0.55) POLBHTTGABRA1GABRB2GAA
SCHEMBL1332031 0.74 GABRA1 (0.55) POLBHTTGABRA1GABRB2GAA
SCHEMBL23457998 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11965054-B2 Storage-stable pigmented isocyanate group-containing formulations with isocyanate group-containing grinding resin and use thereof COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-04-23 US disclosed
CN-113518791-B Storage-stable pigment-containing isocyanate-group-containing formulations having an isocyanate-group-containing grinding resin and use thereof 科思创知识产权两合公司 2023-08-08 CN disclosed
CN-112020528-B Storage-stable, pigmented, isocyanate group-containing formulations and use thereof 科思创知识产权两合公司 2022-08-30 CN disclosed
CN-110446737-B Formation of coatings by separate application of polyisocyanate composition and crosslinking catalyst 科思创德国股份有限公司 2022-04-01 CN disclosed
EP-3931234-A1 STORAGE-STABLE PIGMENTED ISOCYANATE GROUP-CONTAINING FORMULATIONS WITH ISOCYANATE GROUP-CONTAINING GRINDING RESIN AND USE THEREOF Covestro Intellectual Property GmbH & Co. KG (DE) 2022-01-05 EP disclosed
CN-113518791-A Storage-stable, pigment-containing formulations containing isocyanate groups with abrasive resins containing isocyanate groups and use thereof 科思创知识产权两合公司 2021-10-19 CN disclosed
US-20210102090-A1 FORMATION OF COATINGS BY SEPARATE APPLICATION OF POLYISOCYANATE COMPOSITIONS AND CROSSLINKING CATALYSTS COVESTRO DEUTSCHLAND AG (DE) 2021-04-08 US disclosed
EP-3765545-A1 STORAGE-STABLE PIGMENTED FORMULATIONS CONTAINING ISOCYANATE GROUPS AND USE THEREOF Covestro Intellectual Property GmbH & Co. KG (DE) 2021-01-20 EP disclosed
US-20200407576-A1 STORAGE-STABLE PIGMENTED FORMULATIONS CONTAINING ISOCYANATE GROUPS AND USE THEREOF COVESTRO DEUTSCHLAND AG (DE) 2020-12-31 US disclosed
CN-112020528-A Storage-stable, pigmented, isocyanate group-containing formulations and use thereof 科思创知识产权两合公司 2020-12-01 CN disclosed
EP-2393859-A1 TWO-COMPONENT COATING COMPOSITIONS FOR FLEXIBLE COATINGS Bayer MaterialScience AG (DE) 2011-12-14 EP disclosed
US-20110294934-A1 TWO-COMPONENT COATING COMPOSITIONS FOR FLEXIBLE COATINGS BAYER MATERIAL SCIENCE AG (DE) 2011-12-01 US disclosed
US-20110288217-A1 COATINGS WHICH ARE BASED ON ALLOPHANATE GROUP-CONTAINING POLYISOCYANATES Bayer MaterialScience AG Law and Patents (DE) 2011-11-24 US disclosed
WO-2010089034-A1 TWO-COMPONENT COATING COMPOSITIONS FOR FLEXIBLE COATINGS BAYER MATERIALSCIENCE AG (DE) 2010-08-12 WO disclosed
US-RE34669-E Method for preparing moulded polyureapolyurethane flexible foams IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-19 US disclosed
EP-0371680-B1 Method for preparing polyurea-polyurethane flexible foams ICI PLC (GB) 1993-12-22 EP disclosed
US-5034427-A Forming a polurea, polyurethane by polymerization of polyisocyanate and polyol and a diamine chain extender IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-23 US disclosed
EP-0371680-A1 Method for preparing polyurea-polyurethane flexible foams IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-06 EP disclosed
US-4880872-A POLYUREAS, POLYURETHANES ICI AMERICAS INC. (US) 1989-11-14 US disclosed
EP-0248628-A2 Polyurea-Polyurethane from the reaction of a polyol, an aromatic amine and an isocyanate terminated polyoxy-propylene prepolymer ICI AMERICAS INC. (US) 1987-12-09 EP disclosed