SCHEMBL28032902

SCHEMBL28032902

CCCCCCCCCCC(C)C(CCCCCCCCCC)n1ccnc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.45
CYP17A1 P05093 2/20 0.42

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
SCHEMBL27667458 1.00 TBXAS1 (0.45) TBXAS1CYP17A1
SCHEMBL27797666 0.87 CYP17A1 (0.47) TBXAS1CYP17A1
SCHEMBL27849755 0.86
SCHEMBL27935059 0.86
SCHEMBL27759709 0.85 TBXAS1 (0.46) TBXAS1CYP17A1
SCHEMBL27759708 0.85 TBXAS1 (0.46) TBXAS1CYP17A1
SCHEMBL27663508 0.85 TBXAS1 (0.46) TBXAS1CYP17A1
SCHEMBL19831940 0.85 TBXAS1 (0.46) TBXAS1CYP17A1
Hydrochloric Acid SCHEMBL28836400 0.84
Hydrochloric Acid SCHEMBL27943016 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105038146-A Method for preparing low melt strength polyester / clay nanocomposites for CO2 foam UNIV EAST CHINA SCIENCE & TECH 2015-11-11 CN disclosed