SCHEMBL462575

SCHEMBL462575

CC1(CN=C=O)CCC(N=C=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
CYP3A4 P08684 1/20 0.63

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
SCHEMBL19924891 0.84
SCHEMBL25269364 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL2762954 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL570003 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL6568876 0.78 ALDH1A1 (0.94) ALDH1A1CYP3A4
SCHEMBL22346251 0.78 ALDH1A1 (0.94) ALDH1A1CYP3A4
SCHEMBL9227073 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4
SCHEMBL28928267 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL29008243 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL2821152 0.77 ALDH1A1 (1.00) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263649-A1 NON-IONIC HYDROPHILIZED POLYISOCYANATES HAVING A VERY LOW MONOMER CONTENT Covestro Deutschland AG (DE) 2023-10-25 EP disclosed
WO-2022263306-A1 ALDEHYDE-BLOCKED ORGANIC POLYISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2022-12-22 WO disclosed
WO-2022129140-A1 NON-IONIC HYDROPHILIZED POLYISOCYANATES HAVING A VERY LOW MONOMER CONTENT COVESTRO DEUTSCHLAND AG (DE) 2022-06-23 WO disclosed
EP-3887423-A1 POLYISOCYANATE COMPOSITION FOR COATINGS Covestro Intellectual Property GmbH & Co. KG (DE) 2021-10-06 EP disclosed
WO-2021148419-A1 METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2021-07-29 WO disclosed
EP-3728371-A1 ADHESIVE BASED ON A SPECIAL POLYURETHANE UREA AND HAVING AN ADJUSTABLE ADHESIVE STRENGTH, PRODUCTION AND USE THEREOF Covestro Deutschland AG (DE) 2020-10-28 EP disclosed
WO-2020109125-A1 POLYISOCYANATE COMPOSITION FOR COATINGS COVESTRO DEUTSCHLAND AG (DE) 2020-06-04 WO disclosed
EP-3649113-A1 CONTINUOUS DILUTION OF POLYISOCYANATES Covestro Deutschland AG (DE) 2020-05-13 EP disclosed
WO-2019238753-A1 PREPOLYMERS CONTAINING THIOCARBONATE AND POLYURETHANES OBTAINED THEREFROM COVESTRO DEUTSCHLAND AG (DE) 2019-12-19 WO disclosed
EP-3562869-A1 COMPOSITE COMPONENT Covestro Deutschland AG (DE) 2019-11-06 EP disclosed
EP-2155799-A1 HYBRID POLYISOCYANATES Bayer MaterialScience AG (DE) 2010-02-24 EP disclosed
EP-2155798-A1 HYBRID POLYISOCYANATES Bayer MaterialScience AG (DE) 2010-02-24 EP disclosed
EP-2154206-A1 Stabilised nanoparticle dispersions Bayer MaterialScience AG (DE) 2010-02-17 EP disclosed
WO-2009059694-A1 POLYSILOXANE-MODIFIED POLYISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2009-05-14 WO disclosed
WO-2008138470-A1 HYBRID POLYISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2008-11-20 WO disclosed
WO-2008138471-A1 HYBRID POLYISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2008-11-20 WO disclosed
EP-1629023-A1 SOLIDIFICATION-STABLE BLOCKED POLYISOCYANATES Bayer MaterialScience AG (DE) 2006-03-01 EP disclosed
WO-2004104065-A1 SOLIDIFICATION-STABLE BLOCKED POLYISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2004-12-02 WO disclosed
US-6420478-B1 AQUEOUS BINDER COMPOSITION, POLYURETHANE DISPERSION, POLYISOCYANATE AND ETHYLENE OXIDE UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
EP-0224165-A2 Process for the preparation of polyisocyanates containing isocyanurate groups, and their use as isocyanurate components in polyurethane lacquers BAYER AG (DE) 1987-06-03 EP disclosed