SCHEMBL6427665

SCHEMBL6427665

CC(C)(O)C#CCC(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.31

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
SCHEMBL5613293 0.73
SCHEMBL252969 0.73
SCHEMBL11941623 0.73
SCHEMBL9579519 0.72
SCHEMBL468111 0.71
SCHEMBL7326187 0.71
SCHEMBL5996892 0.71
SCHEMBL7318901 0.71
SCHEMBL190199 0.69 ALDH1A1 (0.33) ALDH1A1RECQL
SCHEMBL8471055 0.69

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
US-20050043171-A1 Method for preparing metal cyanide catalysts using zero valent metals DOW GLOBAL TECHNOLOGIES INC. 2005-02-24 US disclosed