SCHEMBL9775441

SCHEMBL9775441

CC(C)(O)C#Cc1c(F)c(F)c(C#CC(C)(C)O)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.30
HTT P42858 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
SCHEMBL9775432 0.93 L3MBTL1 (0.31) L3MBTL1
SCHEMBL6348972 0.83 L3MBTL1 (0.38) L3MBTL1ATM
SCHEMBL15957595 0.78
SCHEMBL15957589 0.72
SCHEMBL6355971 0.69 PGK1 (0.37) L3MBTL1ATM
SCHEMBL2912869 0.68 TTBK1 (0.35) L3MBTL1HTT
SCHEMBL700507 0.67 HTT (0.46) L3MBTL1ATMHTT
SCHEMBL20455632 0.66 L3MBTL1 (0.37) L3MBTL1ATM
SCHEMBL190199 0.65 ALDH1A1 (0.33) L3MBTL1
SCHEMBL12391039 0.65 ASIC3 (0.50) L3MBTL1ATMHTT

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-4987209-A Diethynyl monomers and polymers thereof THE PRESIDENT AND FELLOWS OF HARVARD (US) 1991-01-22 US disclosed
US-4892975-A Diethynyl monomers and polymers thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-01-09 US disclosed