SCHEMBL6129136

SCHEMBL6129136

O=C=NC1Cc2ccccc2CC1N=C=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
ANPEP P15144 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PLAU P00749 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL1193046 0.82 ANPEP (0.39) IDO1ANPEPCA1CA2PLAU
SCHEMBL9617347 0.81 CHRNB2 (0.37) ANPEP
SCHEMBL4023875 0.74 PLAU (0.46) ANPEPCA1CA2PLAUMTNR1A
SCHEMBL730171 0.70 IDO1 (0.39) IDO1CA1CA2ACHE
SCHEMBL385635 0.69 IDO1 (0.41) IDO1ANPEPCA1CA2PLAU
SCHEMBL1870104 0.68 MAOB (0.43) CYP1A2
SCHEMBL134488 0.68 MAOB (0.43) CYP1A2
SCHEMBL4703520 0.68 ACP3 (0.44) IDO1CA1CA2
SCHEMBL5016297 0.68 MAOB (0.43) CYP1A2
SCHEMBL2160352 0.68 MAOB (0.43) CYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506165-B1 TETRALIN ISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2011-12-28 EP claimed
US-11795260-B2 Bulk material comprising solid diisocyanates and prepolymers containing urethane groups obtainable therefrom COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2023-10-24 US disclosed
US-20210163658-A1 BULK MATERIAL COMPRISING SOLID DIISOCYANATES AND PREPOLYMERS CONTAINING URETHANE GROUPS OBTAINABLE THEREFROM COVESTRO DEUTSCHLAND AG (DE) 2021-06-03 US disclosed
EP-3828213-A1 BULK MATERIAL CONTAINING SOLID DIISOCYANATES AND URETHANE GROUP-CONTAINING PREPOLYMERS OBTAINABLE THEREFROM Covestro Deutschland AG (DE) 2021-06-02 EP disclosed
EP-3828214-A1 BULK MATERIAL CONTAINING SOLID DIISOCYANATES AND URETHANE GROUP CONTAINING PREPOLYMERS PREPARED THEREFROM Covestro Intellectual Property GmbH & Co. KG (DE) 2021-06-02 EP disclosed
CN-112851904-A Bulk material comprising solid diisocyanate and urethane group-containing prepolymer obtainable therefrom 科思创知识产权两合公司 2021-05-28 CN disclosed
EP-1506165-B1 TETRALIN ISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2011-12-28 EP disclosed
CN-1289473-C Tetralin isocyanates BAYER MATERIALSCIENCE LLC (US) 2006-12-13 CN disclosed
CN-1653041-A Tetralin isocyanates BAYER MATERIALSCIENCE LLC (US) 2005-08-10 CN disclosed
EP-1506165-A1 TETRALIN ISOCYANATES Bayer MaterialScience LLC (US) 2005-02-16 EP disclosed
US-6841585-B2 Tetralin isocyanates BAYER MATERIALSCIENCE LLC (US) 2005-01-11 US disclosed
US-20040143029-A1 Tetralin isocyanates COVESTRO LLC 2004-07-22 US disclosed
US-6750367-B2 REACTING 1,2,3,4-TETRAHYDRONAPHTHALENE WITH NITRIC ACID TO PRODUCE DINITROTETRALIN THEN HYDROGENATING TO DIAMINOTETRALIN AND PHOSGENATING BAYER POLYMERS LLC 2004-06-15 US disclosed
WO-2003095419-A1 TETRALIN ISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2003-11-20 WO disclosed
US-20030212160-A1 Tetralin isocyanates COVESTRO LLC 2003-11-13 US disclosed