SCHEMBL21376142

SCHEMBL21376142

FC(F)(F)c1ccccc1C#CI

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.36
SLC22A12 Q96S37 2/20 0.35
IDO1 P14902 2/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.32
NFKB1 P19838 1/20 0.32
KIF11 P52732 1/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL5250347 0.78 FFAR1 (0.46) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL5250349 0.78 FFAR1 (0.43) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL563999 0.77 FFAR1 (0.60) FFAR1PTGDR2ALDH1A1LMNATSHR
SCHEMBL13918951 0.75 FFAR1 (0.41) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL30270429 0.75 CYP3A4 (0.53) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL28586422 0.75 FFAR1 (0.44) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL6689411 0.75 ALDH1A1 (0.40) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL313726 0.75 ALDH1A1 (0.40) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL3347622 0.74 FFAR1 (0.40) FFAR1PTGDR2TDP1ALDH1A1POLB
SCHEMBL21974241 0.74 FFAR1 (0.43) FFAR1PTGDR2TDP1ALDH1A1POLB

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-3317276-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-16 EP disclosed
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 EP disclosed
EP-3286186-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed