SCHEMBL28037795

SCHEMBL28037795

CC1CCC(CO)O1.CCC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL283428 0.85
SCHEMBL282573 0.85
SCHEMBL354898 0.85
SCHEMBL264287 0.85
SCHEMBL2610981 0.85
SCHEMBL264560 0.85
SCHEMBL354899 0.85
SCHEMBL7607018 0.85
SCHEMBL28037766 0.82 TDP1 (0.40) TDP1
Propanol SCHEMBL28037772 0.82 CYP2A6 (0.32)

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-105130731-A Method for preparing long-chain alkane from biomass derivativeS 5-HMF (hydroxymethyl furfural) or furaldehyde HEFEI LEAF BIO TECH CO LTD 2015-12-09 CN disclosed