SCHEMBL20587797

SCHEMBL20587797

O=C=NC1(N=C=O)CCC(C2CCC(N=C=O)(N=C=O)CC2)CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL28973778 0.91 ALDH1A1 (0.38)
SCHEMBL109566 0.80
SCHEMBL29008238 0.80
SCHEMBL11036592 0.80
SCHEMBL28374557 0.80
SCHEMBL25403242 0.78 ALDH1A1 (0.50)
SCHEMBL7039500 0.78
SCHEMBL283833 0.78
SCHEMBL10713840 0.77
SCHEMBL28302690 0.77

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638735-A1 REINFORCED POLYOXYMETHYLENE COMPOSITION WITH LOW EMISSIONS Celanese Sales Germany GmbH (DE) 2020-04-22 EP disclosed
WO-2018229678-A1 REINFORCED POLYOXYMETHYLENE COMPOSITION WITH LOW EMISSIONS CELANESE SALES GERMANY GMBH (DE) 2018-12-20 WO disclosed
CN-108299900-A Hard coat film and image display device with hard coat film 东友精细化工有限公司 2018-07-20 CN disclosed
CN-107765357-A Polarizer and the image display device for including it 东友精细化工有限公司 2018-03-06 CN disclosed
CN-107400390-A Hard coat film and the flexible display with hard coat film 东友精细化工有限公司 2017-11-28 CN disclosed
CN-107402414-A Hard coat film and the flexible display with hard coat film 东友精细化工有限公司 2017-11-28 CN disclosed
CN-106883374-A Polyurethane glass and preparation method thereof 耿佃勇 2017-06-23 CN disclosed
CN-1214717-A Coating composition comprising bicyclo- or spiro-orthoester-functional compound AKZO NOBEL NV (NL) 1999-04-21 CN disclosed