SCHEMBL8616101

SCHEMBL8616101

CC1CC(C)(C)CC(C)(N=C=O)C1.N=C=O.N=C=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL4912979 1.00 ALDH1A1 (0.32) ALDH1A1CYP3A4ESR1ESR2
SCHEMBL1081191 0.94 ALDH1A1 (0.34) ALDH1A1CYP3A4ESR1ESR2
Cyanate SCHEMBL10596478 0.86 ESR1 (0.32) ALDH1A1CYP3A4ESR1ESR2
SCHEMBL7781753 0.85 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL7647246 0.77
SCHEMBL28259054 0.76 ESR1 (0.33) ESR1ESR2
SCHEMBL434084 0.76 ALDH1A1 (0.34) ALDH1A1CYP3A4ESR1ESR2
SCHEMBL264479 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL425684 0.72
SCHEMBL9293471 0.71 ALDH1A1 (0.49) ALDH1A1CYP3A4

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-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP claimed
EP-4192894-A1 FLEXIBILIZED POLYURETHANES FOR FLEXIBLE PACKAGING ADHESIVE WITHOUT AROMATIC AMINE MIGRATION Covestro LLC (US) 2023-06-14 EP disclosed
CN-102549058-B Cure accelerators for anaerobic curable compositions HENKEL CORP 2014-03-12 CN disclosed
CN-102076642-B Cure accelerators for anaerobic curable compositions HENKEL CORP 2013-08-21 CN disclosed
CN-102549058-A Curing Accelerators for Anaerobic Curable Compositions HENKEL CORP 2012-07-04 CN disclosed
CN-102076642-A Cure accelerators for anaerobic curable compositions HENKEL CORP 2011-05-25 CN disclosed
CN-101715499-A Water, oil and stain repellent finishes on fibers and fabrics HEIQ MATERIALS AG 2010-05-26 CN disclosed
CN-1186505-A Polydiorganosiloxane oligourea segmented copolymers and process for making same MINNESODA MINING AND MANUFACTU (US) 1998-07-01 CN disclosed
US-5708119-A POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-13 US disclosed
CN-1036144-C Air-drying polyurethaue resins and preparation and use thereof HOECHST AG (DE) 1997-10-15 CN disclosed
EP-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP disclosed
US-5270386-A Styrenic copolymers modified with poly (phenylene ether) THE DOW CHEMICAL COMPANY (US) 1993-12-14 US disclosed
CN-1054091-A Air-dry urethane resin and preparation thereof and purposes HOECHST AG (DE) 1991-08-28 CN disclosed
US-4041208-A ENERGY ABSORBERS, LAMINATED GLASS SHEETS USEFUL AS AUTOMOBILE WINDSHIELDS PPG INDUSTRIES, INC. (US) 1977-08-09 US disclosed
US-4010311-A SAFETY GLASS PPG INDUSTRIES, INC. (US) 1977-03-01 US disclosed