SCHEMBL7753405

SCHEMBL7753405

CC1(C)CC(CN=C=O)CC(N=C=O)C1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL1719642 0.79 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL9974620 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL10592059 0.75 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL9972844 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL19215804 0.73 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL19227370 0.73 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL676571 0.73 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL8168474 0.72 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL7107357 0.72 ALDH1A1 (0.81) ALDH1A1CYP3A4
SCHEMBL21547331 0.72 ALDH1A1 (0.37) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976723-A2 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2000-02-02 EP claimed
CN-115926104-A Isophorone diisocyanate composition with moderate reactivity with alcohols 万华化学集团股份有限公司 2023-04-07 CN disclosed
EP-2360529-B1 METHOD FOR MANUFACTURING LITHOGRAPHIC PRINTING PLATE, DEVELOPER FOR ORIGINAL LITHOGRAPHIC PRINTING PLATE, AND REPLENISHER FOR DEVELOPING ORIGINAL LITHOGRAPHIC PRINTING PLATE FUJIFILM CORP (JP) 2016-08-24 EP disclosed
US-7277218-B2 Adding fluorinated polyether additive to a dispersion of electrophoretic pigment-containing microparticles dispersed in a dielectric solvent prepared by microencapsulation; improved colloidal stability, switching performance and temperature latitude SIPIX IMAGING, INC. (US) 2007-10-02 US disclosed
US-7277218-B2 Adding fluorinated polyether additive to a dispersion of electrophoretic pigment-containing microparticles dispersed in a dielectric solvent prepared by microencapsulation; improved colloidal stability, switching performance and temperature latitude SIPIX IMAGING, INC. (US) 2007-10-02 US disclosed
US-7207732-B2 Coated optical fiber and curable compositions suitable for coating optical fiber CORNING INCORPORATED (US) 2007-04-24 US disclosed
US-7207732-B2 Coated optical fiber and curable compositions suitable for coating optical fiber CORNING INCORPORATED (US) 2007-04-24 US disclosed
EP-0849268-B1 Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates BAYER AG (DE) 2001-10-10 EP disclosed
EP-0976723-A3 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
JP-2000044526-A DIISOCYANATE COMPOUND DAICEL CHEM IND LTD 2000-02-15 JP disclosed
JP-2000044918-A ADHESIVE COMPRISING POLYURETHANE COMPOSITION DAICEL CHEM IND LTD 2000-02-15 JP disclosed
JP-2000044529-A COMPOSITION COMPRISING ALICYCLIC DIISOCYANATE COMPOUND AS MAIN COMPONENT DAICEL CHEM IND LTD 2000-02-15 JP disclosed
JP-2000044528-A ALICYCLIC DIISOCYANATE COMPOSITION DAICEL CHEM IND LTD 2000-02-15 JP disclosed
JP-2000044527-A ALICYCLIC POLYISOCYANATES, THEIR PRODUCTION AND THEIR POLYURETHANE DAICEL CHEM IND LTD 2000-02-15 JP disclosed
EP-0976723-A2 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
EP-0976723-A2 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
US-5882544-A Polycyclic iminooxadiazinediones from (cyclo)aliphatic 1,4-diisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
EP-0849268-A1 Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates BAYER AG (DE) 1998-06-24 EP disclosed