SCHEMBL682142

SCHEMBL682142

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

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL19578691 0.80 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL14750141 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL1755346 0.77 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL13805441 0.77 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL23604784 0.76 ALDH1A1 (0.64) ALDH1A1CYP3A4
SCHEMBL19057011 0.75 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL9074730 0.75
SCHEMBL15374809 0.75
SCHEMBL19215771 0.74 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL7089674 0.74 ALDH1A1 (0.66) 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 244 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746289-A2 SIMULTANEOUS OPTIMIZATION OF FIBER SIZING IN-LINE WITH THE PULTRUSION PROCESS BASF SE (DE) 2020-12-09 EP claimed
WO-2019149672-A2 SIMULTANEOUS OPTIMIZATION OF FIBER SIZING IN-LINE WITH THE PULTRUSION PROCESS BASF SE (DE) 2019-08-08 WO claimed
EP-3394132-A1 TWO COMPONENT POLYURETHANE COMPOSITION Sika Technology AG (CH) 2018-10-31 EP claimed
WO-2017108832-A1 TWO COMPONENT POLYURETHANE COMPOSITION SIKA TECHNOLOGY AG (CH) 2017-06-29 WO claimed
EP-3155035-A1 THIOALLOPHANATE POLYISOCYANATES CONTAINING SILANE GROUPS Covestro Deutschland AG (DE) 2017-04-19 EP claimed
WO-2015189164-A1 THIOALLOPHANATE POLYISOCYANATES CONTAINING SILANE GROUPS COVESTRO DEUTSCHLAND AG (DE) 2015-12-17 WO claimed
US-9061971-B2 Method for purifying residues containing isocyanates BASF AKTIENGESELLSCHAFT (DE) 2015-06-23 US claimed
JP-2008540767-A 2008-11-20 JP claimed
EP-1883664-A1 HYDROCARBON OR HYDROFLUOROCARBON BLOWN ASTM E4-84 CLASS I RIGID POLYURETHANE FOAMS Bayer MaterialScience LLC (US) 2008-02-06 EP claimed
EP-1727842-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-12-06 EP claimed
WO-2006124364-A1 HYDROCARBON OR HYDROFLUOROCARBON BLOWN ASTM E4-84 CLASS I RIGID POLYURETHANE FOAMS BAYER MATERIALSCIENCE LLC (US) 2006-11-23 WO claimed
WO-2005087828-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEROF BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO claimed
JP-2000514484-A 2000-10-31 JP claimed
EP-0910596-A1 PROCESS FOR PREPARING COMPACT OR CELLULAR POLYURETHANE ELASTOMERS AND ISOCYANATE PREPOLYMERS SUITABLE FOR THIS PURPOSE BASF AKTIENGESELLSCHAFT (DE) 1999-04-28 EP claimed
WO-1998002476-A1 PROCESS FOR PREPARING COMPACT OR CELLULAR POLYURETHANE ELASTOMERS AND ISOCYANATE PREPOLYMERS SUITABLE FOR THIS PURPOSE BASF AKTIENGESELLSCHAFT (DE) 1998-01-22 WO claimed
EP-0307775-A2 Water dispersible, modified polyurethane thickener with improved high shear viscosity in aqueous systems RHEOX INTERNATIONAL, INC. (US) 1989-03-22 EP claimed
EP-0160913-A2 Practically colourless, organic polyisocyanates, process for their preparation and their use for the preparation of polyurethane plastics BAYER AG (DE) 1985-11-13 EP claimed
WO-2024126607-A1 PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE FROM CO2 BASF SE (DE) 2024-06-20 WO disclosed
EP-0013391-A1 Process for the preparation of modified polyisocyanates, polyisocyanates obtained by this process and their use as reaction components in the preparation of polyurethane plastics BAYER AG (DE) 1980-07-23 EP disclosed
EP-0007502-A1 Process for preparing foamed moulded materials BAYER AG (DE) 1980-02-06 EP disclosed