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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8200696

CC[C@H](N)C(=O)C1c2c(ccc3ccccc23)N[C@@H]1C(=O)O.CC[C@H](N)C(=O)N1c2cc(Cl)c(Cl)cc2C[C@H]1C(=O)NCC(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NR4A1 P22736 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
Trifluoroacetic Acid SCHEMBL8200691 1.00 KDM4E (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL5569402 0.81 KDM4E (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL5563692 0.81 AR (0.35) KDM4EALDH1A1NR4A1
Trifluoroacetic Acid SCHEMBL5563791 0.78 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL5563790 0.78 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5568891 0.78 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5568373 0.78 AR (0.38) KDM4EALDH1A1CYP1A2NR4A1
SCHEMBL7651693 0.75 KDM4E (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8210869 0.73 NR4A1 (0.48) KDM4EALDH1A1CYP1A2NR4A1
SCHEMBL8210866 0.73 NR4A1 (0.48) KDM4EALDH1A1CYP1A2NR4A1

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
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 — — EP claimed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 — — WO claimed