SCHEMBL15198822

SCHEMBL15198822

C#CCOC(=C)C1(C)COC(=O)OC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
NPC1 O15118 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
SCHEMBL258710 0.83 NPC1 (0.34) ATMNPC1
SCHEMBL866475 0.80 ATM (0.45) ATM
SCHEMBL10294950 0.76 ATM (0.33) ATM
SCHEMBL19567960 0.75 PRKCA (0.36) ATM
SCHEMBL10295054 0.74 ATM (0.31) ATM
SCHEMBL16417656 0.73 SMN1; SMN2 (0.31) ATM
SCHEMBL21264371 0.72 ATM (0.35) ATMNPC1
SCHEMBL16417655 0.72 ALDH1A1 (0.42) NPC1
SCHEMBL20253641 0.71 NPC1 (0.33) ATMNPC1
SCHEMBL18993804 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940855-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-01-27 US disclosed
US-20130217853-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-08-22 US disclosed