SCHEMBL7217639

SCHEMBL7217639

C=CCOC(C)C(CO)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22598584 0.82
SCHEMBL11826204 0.81
Propene SCHEMBL28161085 0.77 LMNA (0.33)
SCHEMBL12233215 0.76 TDP1 (0.31) TDP1
SCHEMBL11784861 0.76 CA1 (0.33)
SCHEMBL28217014 0.74
SCHEMBL799194 0.73 MEN1 (0.30)
SCHEMBL327529 0.73 MEN1 (0.30)
SCHEMBL28261674 0.73
SCHEMBL438855 0.72

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-6506947-B1 Fluorinated diol used for preparation of polyurethane material for coating of optical fibers, formed by reacting perfluoroalkyl iodide with trimethylolalkane monoallyl ether and dehydroiodinating product E. I. DU PONT DE NEMOURS AND COMPANY 2003-01-14 US disclosed