SCHEMBL17878008

SCHEMBL17878008

CC(C)OP(=O)(OCC#CCOP(=O)(OC(C)C(F)(F)F)OC(C)C(F)(F)F)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.36
CTSA P10619 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
SCHEMBL17877994 0.85 CTSA (0.39) ACHECTSA
SCHEMBL24191468 0.77 ACHE (0.56) ACHE
SCHEMBL17881733 0.76 ACHE (0.49) ACHE
SCHEMBL22365678 0.74 ACHE (0.38) ACHECTSA
SCHEMBL10001364 0.74 ACHE (0.38) ACHECTSA
SCHEMBL3902813 0.70 CTSA (0.41) ACHECTSA
SCHEMBL11327509 0.70 ACHE (0.46) ACHECTSA
SCHEMBL23060311 0.67 ACHE (0.39) ACHECTSA
SCHEMBL11274810 0.66 ACHE (0.46) ACHECTSA
SCHEMBL10787734 0.66 CTSA (0.43) ACHECTSA

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-20160190644-A1 RECHARGEABLE LITHIUM BATTERY SAMSUNG SDI CO., LTD. (KR) 2016-06-30 US disclosed