SCHEMBL7599513

SCHEMBL7599513

Cc1cccc([NH3+])c1C.Fc1cc(F)c(F)c([B-](c2c(F)c(F)cc(F)c2F)(c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL148465 0.88 TRPA1 (0.33) ACHETRPA1ATMTSHRSMN1; SMN2
SCHEMBL17387194 0.84 ACHE (0.40) ACHETRPA1ATMTSHRSMN1; SMN2
SCHEMBL4942420 0.82
SCHEMBL1240932 0.79
SCHEMBL7456766 0.78 TRPA1 (0.31) TRPA1ATM
SCHEMBL7460565 0.78 ACHE (0.31) ACHE
SCHEMBL7455791 0.78 ACHE (0.31) ACHE
SCHEMBL7930520 0.77
SCHEMBL28411487 0.76 TRPA1 (0.41) ACHETRPA1ATMTSHRSMN1; SMN2
SCHEMBL2171664 0.75

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813447-B1 BRIDGED BIS-AMIDO GROUP 4 METAL COMPOUNDS IN A CATALYST COMPOSITION SHELL INT RESEARCH (NL) 1998-10-21 EP claimed
US-20020035219-A1 Catalyst system for alpha-olefin oligomerization HORTON ANDREW D (NL) 2002-03-21 US disclosed
US-6335303-B1 EFFECTIVE IN POLYMERIZATION OF ALPHA OLEFINS TO HIGH MOLECULAR WEIGHT POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-01 US disclosed
US-5726115-A OLIGOMERIZATION OF OLEFINS SHELL OIL COMPANY (US) 1998-03-10 US disclosed