SCHEMBL9012019

SCHEMBL9012019

CC(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
SCHEMBL16564572 0.81
SCHEMBL8778896 0.81
SCHEMBL8425974 0.79
SCHEMBL424101 0.79
SCHEMBL16808804 0.79
SCHEMBL9182971 0.78
SCHEMBL16870539 0.76
SCHEMBL1065714 0.76
SCHEMBL448803 0.76
SCHEMBL3904826 0.75 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623786-B Oxazolidone ring-containing epoxy resin composition, method for producing same, curable resin composition, and cured product 日铁化学材料株式会社 2022-04-05 CN disclosed
CN-107400198-B Epoxy resin composition and cured product thereof 日铁化学材料株式会社 2020-12-22 CN disclosed
CN-105968321-B Oxazolidone ring-containing epoxy resin, method for producing same, epoxy resin composition, cured product thereof, and application thereof 日铁化学材料株式会社 2020-05-05 CN disclosed
US-5512322-A POLYURETHANE FILM FORMER BASED ON A DIISOCYANATE, A POLYETHER OR ADDUCT, POLYESTER, POLYOL AND REACTIVE IONIZABLE COMPOUND; AUTOMOBILE FINISHES; STABILITY BASF LACKE & FARBEN AKT. (DE) 1996-04-30 US disclosed