Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6072334

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O[C@H]1CNC[C@@H]1N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.49
AKR1C3 P42330 3/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DPP4 P27487 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NOTUM Q6P988 1/20 0.39
GFER P55789 1/20 0.38

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 SCHEMBL6072071 0.89 SLC18A3 (0.62) SLC18A3
Trifluoroacetic Acid SCHEMBL6072038 0.87 SLC18A3 (0.49) SLC18A3ALDH1A1MEN1KMT2AHTT
Trifluoroacetic Acid SCHEMBL6071612 0.87 SLC18A3 (0.54) SLC18A3ALDH1A1MEN1KMT2AHPGD
Trifluoroacetic Acid SCHEMBL6071748 0.84 PLA2G7 (0.44) AKR1C3ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL1257872 0.84 SLC18A3 (0.51) SLC18A3AKR1C3ALDH1A1LMNAMEN1
SCHEMBL1257868 0.84 SLC18A3 (0.51) SLC18A3AKR1C3ALDH1A1LMNAMEN1
SCHEMBL1257870 0.84 SLC18A3 (0.51) SLC18A3AKR1C3ALDH1A1LMNAMEN1
Trifluoroacetic Acid SCHEMBL6071855 0.82 SLC18A3 (0.45) SLC18A3AKR1C3ALDH1A1LMNAHTT
Trifluoroacetic Acid SCHEMBL6071908 0.82 SLC18A3 (0.54) SLC18A3ALDH1A1SMN1; SMN2SIGMAR1
Trifluoroacetic Acid SCHEMBL6071354 0.80 SLC18A3 (0.48) SLC18A3ALDH1A1LMNAMEN1KMT2A

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
US-20060189628-A1 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. 2006-08-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060189628-A1 Compounds useful as chemokine receptor antagonists ACKR3, CCR5, CXCR2 SLC18A3 2263/4885AKR1C3 159/4885ALDH1A1 1889/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.