SCHEMBL8068995

SCHEMBL8068995

CC1(C)CC(NC=O)CC(NC=O)C1.[LiH].[LiH]

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.44
ADH1A P07327 4/20 0.44
ADH1C P00326 3/20 0.41
ADH7 P40394 2/20 0.41
ADH4 P08319 1/20 0.39
ALDH1A1 P00352 1/20 0.32
APLNR P35414 1/20 0.30

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
SCHEMBL8057562 0.91 ADH1B (0.41) ADH1BADH1AADH1CADH7ADH4
SCHEMBL90869 0.79 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL21303700 0.78 ADH1B (0.39) ADH1BADH1AADH1CADH7ADH4
SCHEMBL21319727 0.74 ADH1B (0.65) ADH1BADH1AADH1CADH7ADH4
SCHEMBL13286287 0.71 ADH1B (0.38) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3618357 0.70 ADH1B (0.59) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8073551 0.70 ADH1B (0.37) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8066996 0.70 ADH1B (0.37) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8073327 0.70 ADH1B (0.37) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3040960 0.68 ADH1B (0.44) ADH1BADH1AADH1CADH7ADH4

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
US-6127496-A POLYMERIZING OLEFINICALLY UNSATURATED COMPOUNDS IN PRESENCE OF METALLOCENE CATALYST SYSTEM CONTAINING A COMPOUND CAPABLE OF FORMING METALLOCENIUM IONS BASF AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
US-6077965-A Metal complexes with an adamantane-like structure BASF AKTIENGESELLSCHAFT (DE) 2000-06-20 US disclosed
EP-0932611-A1 METAL COMPLEXES WITH AN ADAMANTANE-LIKE STRUCTURE BASF AKTIENGESELLSCHAFT (DE) 1999-08-04 EP disclosed
EP-0931100-A2 CATALYTIC PATTERNS CONTAINING METAL COMPLEXES WITH AN ADAMANTANE-LIKE STRUCTURE BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998016564-A2 CATALYTIC PATTERNS CONTAINING METAL COMPLEXES WITH AN ADAMANTANE-LIKE STRUCTURE BASF AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed
WO-1998016534-A1 METAL COMPLEXES WITH AN ADAMANTANE-LIKE STRUCTURE BASF AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed