SCHEMBL20164976

SCHEMBL20164976

CC1CC(N=C=O)CCC1C1CC(C)(C)C(N=C=O)CC1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL23743499 0.82 ALDH1A1 (0.43) ALDH1A1
SCHEMBL28489759 0.73 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL28491258 0.72 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL1980291 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL17299359 0.69 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL27975273 0.67 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL28504122 0.67 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL27175923 0.67 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL452847 0.67 ALDH1A1 (0.41) ALDH1A1
SCHEMBL55425 0.66 ALDH1A1 (0.36) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008544-A1 POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2024-01-11 WO disclosed
EP-3997141-A1 PROCESS OF PREPARING ALLOPHANATE- AND/OR THIOALLOPHANATE GROUP-CONTAINING COMPOUNDS Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 EP disclosed
EP-3997183-A1 METHOD FOR PRODUCING ISOCYANURATES FROM URETDIONES Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 EP disclosed
EP-3976684-A1 METHOD FOR PREPARING A MIXED SILANE-TERMINATED POLYMER Covestro Intellectual Property GmbH & Co. KG (DE) 2022-04-06 EP disclosed
US-20200270390-A1 TWO-COMPONENT SYSTEM FOR ELASTIC COATINGS COVESTRO DEUTSCHLAND AG (DE) 2020-08-27 US disclosed
US-10590226-B2 Solids based on polyisocyanurate polymers produced under adiabatic conditions COVESTRO DEUTSCHLAND AG (DE) 2020-03-17 US disclosed
US-20180142056-A1 SOLIDS BASED ON POLYISOCVANURATE POLYMERS PRODUCED UNDER ADIABATIC CONDITIONS COVESTRO DEUTSCHLAND AG (DE) 2018-05-24 US disclosed