Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30749397

O=C(O)C(F)(F)F.c1cc2cncnc2cn1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
L3MBTL1 Q9Y468 4/20 0.39
LATS1 O95835 4/20 0.36
LATS2 Q9NRM7 1/20 0.36
UBE2N P61088 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
IMPDH2 P12268 1/20 0.35
HIPK2 Q9H2X6 1/20 0.34
HPGDS O60760 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL30391689 0.89 EGFR (0.43) EGFRL3MBTL1LATS1LATS2UBE2N
Trifluoroacetic Acid SCHEMBL29977443 0.89 EGFR (0.43) EGFRL3MBTL1LATS1LATS2UBE2N
SCHEMBL88606 0.82 EGFR (0.58) EGFRKDM4C
SCHEMBL29409356 0.82 EGFR (0.58) EGFRKDM4C
Quinazoline SCHEMBL27562308 0.82 EGFR (0.67) EGFRL3MBTL1UBE2NIMPDH2
Trifluoroacetic Acid SCHEMBL30343227 0.81 L3MBTL1 (0.42) L3MBTL1LATS1LATS2UBE2NCDK5
Hydrochloric Acid SCHEMBL30749407 0.80 EGFR (0.56) EGFRKDM4C
Hydrochloric Acid SCHEMBL30749417 0.80 EGFR (0.56) EGFRKDM4C
Formic Acid SCHEMBL30064211 0.80 EGFR (0.47) EGFRIMPDH2HIPK2
Trifluoroacetic Acid SCHEMBL28162941 0.79 EGFR (0.35) EGFRL3MBTL1UBE2NCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425654-A 2, 8-diazaspiro [4.5] decane compounds 基因泰克公司 2024-01-19 CN disclosed