SCHEMBL3136179

SCHEMBL3136179

CCC(C)(C)CC(C)CC(N=C=O)N=C=O

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
SCHEMBL11005682 0.86
SCHEMBL169030 0.82
SCHEMBL810782 0.79
SCHEMBL16808804 0.76
SCHEMBL1697717 0.76 TRPA1 (0.31)
SCHEMBL1292039 0.73
SCHEMBL244226 0.73
SCHEMBL10746086 0.72 TSHR (0.36)
SCHEMBL167936 0.72
SCHEMBL2511652 0.71

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
EP-0144329-B1 PROTECTIVE COATING PROCESS FOR ALUMINUM AND ALUMINUM ALLOYS Lockheed Corporation (US) 1989-12-06 EP claimed
EP-0144329-A1 PROTECTIVE COATING PROCESS FOR ALUMINUM AND ALUMINUM ALLOYS. LOCKHEED CORP (US) 1985-06-19 EP claimed
US-4515919-A CROSSLINKED POLYURETHANE LOCKHEED CORPORATION (US) 1985-05-07 US claimed
WO-1984004549-A1 PROTECTIVE COATING COMPOSITION AND PROCESS FOR ALUMINUM AND ALUMINUM ALLOYS LOCKHEED CORP (US) 1984-11-22 WO claimed
EP-2024412-B1 AQUEOUS DISPERSION OF AN AUTO-OXIDATIVELY DRYING POLYURETHANE NUPLEX RESINS BV (NL) 2010-07-07 EP disclosed
US-20090264586-A1 AQUEOUS DISPERSION OF AN AUTO-OXIDATIVELY DRYING POLYURETHANE NUPLEX RESINS B.V. (NL) 2009-10-22 US disclosed
EP-2024412-A1 AQUEOUS DISPERSION OF AN AUTO-OXIDATIVELY DRYING POLYURETHANE Nuplex Resins B.V. (NL) 2009-02-18 EP disclosed
US-7375215-B2 tetrakis(hydroxyphenyl)chlorin, bacteriochlorin or isobacteriochlorin, derivatised at one or more of the hydroxy groups by addition reaction with a diisocyanate, diisothiocyanate or isocyanate; photodynamic therapy of cancerous and other diseased tissues BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2008-05-20 US disclosed
WO-2007131959-A1 AQUEOUS DISPERSION OF AN AUTO-OXIDATIVELY DRYING POLYURETHANE NUPLEX RESINS B.V. (NL) 2007-11-22 WO disclosed
US-20060040912-A1 Compounds for pdt BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2006-02-23 US disclosed
EP-1263761-B1 COMPOUNDS FOR PDT BIOLITEC PHARMA MARKETING LTD (MY) 2004-12-01 EP disclosed
EP-0553714-B1 Highly crosslinked, low VOC surface coating compositions comprising polyurethane dispersions SHERWIN WILLIAMS CO (US) 1995-12-27 EP disclosed
EP-0018665-B1 URETHANE POLYMERS AND POLYMER DISPERSIONS TEXTRON INC. (US) 1983-09-28 EP disclosed
US-4329490-A Water-dispersible urethane polymers, aqueous polymer dispersions and half-esters useful therein TEXTRON, INC. (US) 1982-05-11 US disclosed
US-4313858-A Polyurethane encapsulating resins TEXTRON, INC. (US) 1982-02-02 US disclosed
US-4277380-A CONTAINING DRYING OIL; COATINGS TEXTRON, INC. (US) 1981-07-07 US disclosed
US-4268426-A Water-dispersible urethane polymers, aqueous polymer dispersions and half-esters useful therein TEXTRON, INC. (US) 1981-05-19 US disclosed
EP-0018665-A2 Urethane polymers and polymer dispersions TEXTRON INC. (US) 1980-11-12 EP disclosed
EP-0017199-A1 Water-dispersible urethane polymers and aqueous polymer dispersions TEXTRON INC. (US) 1980-10-15 EP disclosed
US-4203883-A WATER RESISTANT COATINGS TEXTRON, INC. (US) 1980-05-20 US disclosed