SCHEMBL2777671

SCHEMBL2777671

CC1(C)CC(COC#N)CC(C)(N=C=O)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL364192 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL4983187 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL9067759 0.74
SCHEMBL9393487 0.73 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL1069561 0.73 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL24132961 0.72
SCHEMBL9972844 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL22102895 0.71 ALDH1A1 (0.31) ALDH1A1CYP3A4
Cyanate SCHEMBL10596478 0.69 ESR1 (0.32) ALDH1A1CYP3A4
SCHEMBL18941445 0.69

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2006124364-A1 HYDROCARBON OR HYDROFLUOROCARBON BLOWN ASTM E4-84 CLASS I RIGID POLYURETHANE FOAMS BAYER MATERIALSCIENCE LLC (US) 2006-11-23 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-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-4281490-A1 STORAGE-STABLE 1K SPRAY ADHESIVES BASED ON POLYURETHANE DISPERSIONS Covestro Deutschland AG (DE) 2023-11-29 EP disclosed
EP-3504038-B1 MICROWAVE FOAMING BASF SE (DE) 2023-10-11 EP disclosed
EP-4251584-A1 POLYURETHANE-BASED POLYMER CONCRETES AND GROUTING MORTARS OF CONTROLLED DENSITY Sika Technology AG (CH) 2023-10-04 EP disclosed
EP-0036994-A2 Process for preparing waterproof articles from cellular polyurethane elastomers and their use as spring elements BAYER AG (DE) 1981-10-07 EP disclosed
EP-0033477-A1 Process for preparing hydantoins and their use in temperature-proof lacquers, foils, adhesives, foams and moulded articles BAYER AG (DE) 1981-08-12 EP 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
EP-0002001-A1 Heterocyclic polyisocyanates, their preparation and their application BAYER AG (DE) 1979-05-30 EP disclosed