Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22207652

CC(C)(C)OC(=O)C(CCCCN1C(=O)C=CC1=O)NC(=O)CN.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.43
▸ TDP1 Q9NUW8 5/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ PDF Q9HBH1 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ SSTR2 P30874 4/20 0.34
▸ SSTR1 P30872 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAOA P21397 1/20 0.33

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 SCHEMBL22207651 1.00 AKT1 (0.43) AKT1TDP1ATMNPSR1MEN1
SCHEMBL28620369 0.94 AKT1 (0.41) AKT1TDP1ATMNPSR1MEN1
SCHEMBL28624848 0.94 AKT1 (0.41) AKT1TDP1ATMNPSR1MEN1
Trifluoroacetic Acid SCHEMBL23113668 0.86 SLC15A2 (0.40) AKT1NPSR1PTGS1PTGS2MAPT
Trifluoroacetic Acid SCHEMBL23113666 0.86 SLC15A2 (0.40) AKT1NPSR1PTGS1PTGS2MAPT
SCHEMBL28922741 0.86 AKT1 (0.56) AKT1TDP1PAX8SSTR2SSTR1
SCHEMBL28922739 0.86 AKT1 (0.56) AKT1TDP1PAX8SSTR2SSTR1
SCHEMBL23113667 0.83 MGLL (0.36) NPSR1PTGS1PTGS2MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL31441171 0.81 AKT1 (0.44) AKT1TDP1NPSR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL31441173 0.81 AKT1 (0.39) AKT1TDP1ATMNPSR1MEN1

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
WO-2020145228-A1 COMPLEX COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT アステラス製薬株式会社 2020-07-16 — — WO disclosed
WO-2020145227-A1 COMPLEX COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE アステラス製薬株式会社 2020-07-16 — — WO disclosed
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