SCHEMBL28214850

SCHEMBL28214850

CCC(C)CC(C)(C)CN=C=O.N=C=O

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
SCHEMBL1065714 0.94
SCHEMBL21407387 0.83
SCHEMBL448803 0.79
SCHEMBL810783 0.79
SCHEMBL3450660 0.78
SCHEMBL19006017 0.76
SCHEMBL21575635 0.76
SCHEMBL37901 0.76
SCHEMBL11021145 0.76
SCHEMBL18919032 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382572-A Curing type aqueous resin emulsion compositions 昭和电工株式会社 2019-10-25 CN disclosed
CN-110234673-A ANTIMICROBIAL THERMOPLASTIC POLYURETHANES 路博润先进材料公司 2019-09-13 CN disclosed
CN-110234226-A Antimicrobial non-thrombogenic polymer compositions 路博润先进材料公司 2019-09-13 CN disclosed
CN-110140086-A Printable composition comprising polymer and polymerizable component, article and method of making article therefrom 3M创新有限公司 2019-08-16 CN disclosed
CN-109994288-A Rigid armored cable is formed with curable sheath 德莎欧洲股份公司 2019-07-09 CN disclosed
CN-109790454-A Fluorescent nanoparticles stabilized with functional aminosilicones 3M创新有限公司 2019-05-21 CN disclosed
CN-109196012-A Biodegradable and/or biological absorbable thermoplastic polyurethane 路博润先进材料公司 2019-01-11 CN disclosed
CN-108026243-A Thermoplastic polyurethane composite for the manufacture of entity free forming 路博润先进材料公司 2018-05-11 CN disclosed
CN-108026242-A Thermoplastic polyurethane composite for the manufacture of entity free forming 路博润先进材料公司 2018-05-11 CN disclosed