SCHEMBL8745314

SCHEMBL8745314

CC(C)(C)C(CCCCN=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
SCHEMBL29233067 0.86
SCHEMBL2956967 0.83
SCHEMBL790897 0.80
SCHEMBL29008863 0.79 MAPT (0.37)
SCHEMBL482836 0.79
SCHEMBL29095 0.76
SCHEMBL25170509 0.76
SCHEMBL4290536 0.75
SCHEMBL113597 0.75
SCHEMBL25170644 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020028-A1 HIGH BIO RENEWABLE CONTENT INKS FOR LAMINATING PRINTING INKS SUN CHEMICAL CORPORATION (US) 2024-01-25 WO claimed
EP-0486881-B1 Non-aqueous polyisocyanate composition BASF AG (DE) 1997-02-05 EP claimed
US-5387367-A Storage stability; polyetherurethane copolymer BASF AKTIENGESELLSCHAFT (DE) 1995-02-07 US claimed
WO-2024020028-A1 HIGH BIO RENEWABLE CONTENT INKS FOR LAMINATING PRINTING INKS SUN CHEMICAL CORPORATION (US) 2024-01-25 WO disclosed
US-5387367-A Storage stability; polyetherurethane copolymer BASF AKTIENGESELLSCHAFT (DE) 1995-02-07 US disclosed
US-5387367-A Storage stability; polyetherurethane copolymer BASF AKTIENGESELLSCHAFT (DE) 1995-02-07 US disclosed