SCHEMBL9856244

SCHEMBL9856244

C=CC(F)(F)OC(=O)/C=C\C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.41
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL7595859 1.00 HCAR2 (0.41) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9856237 0.91 KEAP1 (0.32) HCAR2TP53ALDH1A1
SCHEMBL7595856 0.91 KEAP1 (0.32) HCAR2TP53ALDH1A1
SCHEMBL27616968 0.78 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9576318 0.77 HCAR2 (0.37) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9620594 0.77 HCAR2 (0.43) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL7885340 0.77 HCAR2 (0.43) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL5679594 0.75 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL867504 0.75 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL867505 0.75 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3

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
CN-102295560-A Difluoroalkyl maleate and preparation method thereof 2011-12-28 CN disclosed
EP-0284331-B1 PHOTOGRAPHIC COMPOSITION CONTAINING A FLOURINATED SULFOSUCCINATE EASTMAN KODAK COMPANY (US) 1991-10-30 EP disclosed
US-4968599-A COATING AIDS TO CONTROL REPELLENCIES EASTMAN KODAK COMPANY (US) 1990-11-06 US disclosed
EP-0284331-A1 Photographic composition containing a flourinated sulfosuccinate EASTMAN KODAK COMPANY (US) 1988-09-28 EP disclosed