SCHEMBL8069048

SCHEMBL8069048

CCC(C)C1(C(C)CC)CC(NC(C)=O)CC(NC(C)=O)([Ti](C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8057528 0.81 EPHX2 (0.33)
SCHEMBL8057656 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8057542 0.76 TSHR (0.35) ALDH1A1
SCHEMBL8068976 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8069046 0.71 ATM (0.38) ALDH1A1
SCHEMBL8071894 0.70
Hydrochloric Acid SCHEMBL8073383 0.65 EPHX1 (0.35) ALDH1A1
SCHEMBL8057641 0.63 EPHX1 (0.33) ALDH1A1
SCHEMBL19645209 0.62 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8068057 0.60 EPHX2 (0.39) ALDH1A1

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 2 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