SCHEMBL3936683

SCHEMBL3936683

O=C=NC(CCCCCn1c(=O)[nH]c(=O)[nH]c1=O)(N=C=O)N=C=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL2026591 0.77 TYMP (0.38) TSHRHTT
SCHEMBL2026922 0.76 TSHR (0.36) TSHRHTT
SCHEMBL23466837 0.76 TSHR (0.36) TSHRHTT
SCHEMBL29199040 0.76 TSHR (0.36) TSHRHTT
SCHEMBL29199059 0.76 TSHR (0.36) TSHRHTT
SCHEMBL29199022 0.73 TSHR (0.34) TSHRHTT
SCHEMBL7997448 0.73 TYMP (0.33) TSHRHTT
SCHEMBL3707508 0.72 MPO (0.36) TSHRHTT
SCHEMBL29060443 0.71 TSHR (0.32) TSHRHTT
SCHEMBL4105918 0.69 HTT (0.49) TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869098-B1 RADIATION-HARDENABLE COMPOUNDS BASF SE (DE) 2009-04-01 EP disclosed
US-5981074-A APPLYING ACID-CURABALE COATING CONTAINING ACID CATALYST ON SUBSTRATE AND CURING; APPLYING POLYURETHANE FORMING MIXTURE COMPRISING BLOCKED ISOCYANATE, ISOCYANTE-REACTIVE MATERIAL, AND AMINO RESIN AND CURING CYTEC TECHNOLOGY CORP. (US) 1999-11-09 US disclosed
US-5929197-A Acylsuccinic acid polyesters, a process for their preparation and their use in thermosetting plastics and coatings BAYER AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
EP-0679164-B1 ONE-PACKAGE POLYURETHANE TOP COAT COMPOSITION CYTEC TECH CORP (US) 1997-11-19 EP disclosed
US-5455297-A Crosslinkable elastic fillers for automobile bodies from water soluble polyols and polyisocyanates, blocking agents and aliphatic monohydroxymonocarboxylic acids(or salts) BAYER AKTIENGESELLSCHAFT (DE) 1995-10-03 US disclosed
US-5342556-A Microcapsules made of isocyanates with groups containing polyethylene oxide BAYER AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
US-5221707-A Of coating resin and a blocked polyurethane prepolymer adhesion promoter GENCORP INC. (US) 1993-06-22 US disclosed
EP-0517471-A2 Coating blend compositions GENCORP INC. (US) 1992-12-09 EP disclosed
US-5115007-A Curable composition of hydroxy polydiene with polyisocyanate coated on a substrate GENCORP INC. (US) 1992-05-19 US disclosed
US-4289813-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed