Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18185645

COCC1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4ncc(F)cc4F)cc3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 5/20 0.53
▸ ADRA1A P35348 7/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ L3MBTL3 Q96JM7 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL16845096 0.95 ADRA2C (0.57) ADRA2CADRA1AKMT2AL3MBTL1L3MBTL3
Trifluoroacetic Acid SCHEMBL18185582 0.89 ADRA1A (0.49) ADRA2CADRA1A
SCHEMBL16845178 0.84 ADRA1A (0.53) ADRA2CADRA1A
SCHEMBL29787244 0.77 ADRA2C (0.84) ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL25426308 0.77 ADRA2C (0.84) ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL24183555 0.77 ADRA2C (0.84) ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL30398366 0.77 ADRA2C (0.84) ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL25426753 0.77 ADRA2C (0.84) ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL29787322 0.77 ADRA2C (0.84) ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL30359158 0.77 ADRA2C (0.84) ADRA2CKMT2AMEN1ALDH1A1

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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 — — 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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 ADRA2C 678/4885ADRA1A 1241/4885KMT2A 4876/4885

“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.

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