SCHEMBL27949293

SCHEMBL27949293

CC(C)C=S.CCCSCCC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL42070 0.77
SCHEMBL12570289 0.73 TDP1 (0.40) TDP1
SCHEMBL12570292 0.73 TDP1 (0.40) TDP1
Ammonia Solution, Strong SCHEMBL9645049 0.73
SCHEMBL11454029 0.73
Hydrochloric Acid SCHEMBL25414584 0.73
SCHEMBL10122625 0.73 TDP1 (0.40) TDP1
SCHEMBL7954702 0.73
SCHEMBL10122628 0.73 TDP1 (0.40) TDP1
SCHEMBL7963310 0.73

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-103519109-A Natural flavor blending material ZHENG YUNCAI 2014-01-22 CN disclosed