Fluoroacetate

Fluoroacetate

SCHEMBL28291519

O=C(O)CF.O=[N+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CYP1A2 P05177 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CTSD P07339 1/20 0.50
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
GPR35 Q9HC97 1/20 0.48
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46
GAA P10253 1/20 0.45

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
Hydrogen Peroxide SCHEMBL28789392 0.84 GPR35 (0.64) TSHRCYP1A2MEN1KMT2AMAPT
Benzene SCHEMBL27733069 0.82 ALDH1A1 (0.65) TSHRMEN1KMT2AMAPTALDH1A1
Acetic Acid SCHEMBL27721273 0.80 HSD17B10 (0.58) TSHRCYP1A2MEN1KMT2ACTSD
SCHEMBL27878426 0.80 HSD17B10 (0.58) TSHRMEN1KMT2ACTSDALDH1A1
Benzene SCHEMBL27968727 0.79 ALDH1A1 (0.62) TSHRCYP1A2MEN1KMT2AMAPT
SCHEMBL22566 0.79 HSD17B10 (0.67) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL16355165 0.79 HSD17B10 (0.67) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL29577518 0.79 HSD17B10 (0.67) TSHRMEN1KMT2AALDH1A1TDP1
Acetic Acid SCHEMBL28846418 0.78 HSD17B10 (0.56) TSHRCYP1A2MEN1KMT2ACTSD
Nitric Acid SCHEMBL27633028 0.77 GPR35 (0.61) TSHRMEN1KMT2ACTSDMAPT

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
CN-109602006-A A kind of culture method of purification and application containing tree peony Stem Cell Activity object 山东贝世康生物科技有限公司 2019-04-12 CN claimed
CN-109602006-A A kind of culture method of purification and application containing tree peony Stem Cell Activity object 山东贝世康生物科技有限公司 2019-04-12 CN disclosed