Known targets — ChEMBL curated mechanism
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The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 11/20 | 0.47 |
| ▸ | CES2 | O00748 | 7/20 | 0.45 |
| ▸ | CES1 | P23141 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.40 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28824297 | 0.93 | FAAH (0.41) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL6534847 | 0.91 | MLYCD (0.34) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL5880385 | 0.89 | FAAH (0.56) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL12520341 | 0.87 | FAAH (0.54) | FAAHCES2CES1MEN1CYP1A2 | |
| Heptane SCHEMBL1776021 | 0.87 | FAAH (0.58) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3708678 | 0.87 | MLYCD (0.36) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3708677 | 0.87 | MLYCD (0.36) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL726303 | 0.87 | MLYCD (0.36) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL29024974 | 0.84 | MLYCD (0.35) | FAAHCES2CES1MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3273685 | 0.84 | FAAH (0.61) | FAAHCES2CES1MEN1CYP1A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114397386-A | Method for determining 3R-3-tert-butyldimethylsiloxy-5-oxo-6-triphenylphosphine alkene methyl hexanoate isomer | 苏州正济医药研究有限公司 | 2022-04-26 | — | — | CN | claimed |
| US-20220402861-A1 | A Crystalline form of (R)-terbutaline Hydrochloride | TAN WEN (CN) | 2022-12-22 | — | — | US | disclosed |
| CN-114397386-A | Method for determining 3R-3-tert-butyldimethylsiloxy-5-oxo-6-triphenylphosphine alkene methyl hexanoate isomer | 苏州正济医药研究有限公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-107253903-B | Process for preparing a compound capable of binding to the S1P receptor and intermediates thereof | 北京海步医药科技股份有限公司 | 2020-11-24 | — | — | CN | disclosed |
| CN-109239231-A | A kind of chiral isomer analysis method | 药源生物科技（启东）有限公司 | 2019-01-18 | — | — | CN | disclosed |
| EP-0975560-A4 | CHIRAL SEPARATIONS OF AMINO ACIDS | CHIRAL TECHNOLOGIES INC (US) | 2004-10-06 | — | — | EP | disclosed |
| US-6130353-A | Chiral separations of amino acids | CHIRAL TECHNOLOGIES, INC. (US) | 2000-10-10 | — | — | US | disclosed |
| EP-0975560-A1 | CHIRAL SEPARATIONS OF AMINO ACIDS | Chiral Technologies, Inc. (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998041489-A1 | CHIRAL SEPARATIONS OF AMINO ACIDS | CHIRAL TECHNOLOGIES, INC. (US) | 1998-09-24 | — | — | WO | disclosed |