SCHEMBL28608957

SCHEMBL28608957

CCCCCC(C)(C)C#CO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.35
GGPS1 O95749 7/20 0.35
SMPD1 P17405 2/20 0.33
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL28656088 0.93 FDPS (0.32) FDPS
SCHEMBL8996001 0.79 FDPS (0.39) FDPSGGPS1SMPD1CES2LPAR1
Potassium Ion SCHEMBL28679051 0.78
SCHEMBL28783022 0.77 FDPS (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL7190344 0.76 TSHR (0.35) FDPS
SCHEMBL28317682 0.76 TSHR (0.38) FDPSGGPS1SMPD1
SCHEMBL5880706 0.76 GGPS1 (0.36) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL20380885 0.76 ALDH1A1 (0.32) CES2
SCHEMBL6715610 0.74 TSHR (0.36) FDPSGGPS1CES2
Oxirane SCHEMBL28608001 0.73 ALDH1A1 (0.30)

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-109863261-B Defect-free filling method of through silicon via and copper plating solution used for filling method 韩国生产技术研究院 2021-08-20 CN disclosed