Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.37 |
| ▸ | CES1 | P23141 | 6/20 | 0.35 |
| ▸ | CES2 | O00748 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.35 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.34 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL197340 | 0.75 | MGAM (0.48) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL17090712 | 0.75 | FAAH (0.39) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL183178 | 0.73 | PLOD2 (0.46) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL6559914 | 0.72 | PLOD2 (0.39) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL6874096 | 0.72 | FAAH (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28639648 | 0.72 | FAAH (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL17090713 | 0.71 | FAAH (0.37) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL9286605 | 0.71 | MAPT (0.36) | MEN1KMT2AHSD17B10PLOD2ALDH1A1 | |
| Water SCHEMBL7191917 | 0.70 | PLOD2 (0.44) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL9283764 | 0.70 | PLOD2 (0.44) | FAAHCES1CES2MEN1CYP1A2 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0448544-B1 | Process for preparation of fluoromethyl-substituted piperidine carbodithioates | ROHM & HAAS (US) | 1996-07-03 | — | — | EP | claimed |
| EP-0448544-A2 | Process for preparation of fluoromethyl-substituted piperidine carbodithioates | ROHM AND HAAS COMPANY (US) | 1991-09-25 | — | — | EP | claimed |
| US-4785129-A | Methyl 4,4,4-trifluoro-3-oxo-butanethioate | MONSANTO COMPANY (US) | 1988-11-15 | — | — | US | claimed |
| EP-3684352-A1 | VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT | CFM Pharma Holding BV (NL) | 2020-07-29 | — | — | EP | disclosed |
| WO-2019059770-A1 | VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT | CFM PHARMA HOLDING B.V. (NL) | 2019-03-28 | — | — | WO | disclosed |
| EP-3412654-A1 | PROCESSES FOR THE MANUFACTURE OF HALOALKYL PYRIMIDYL COMPOUNDS, AND COMPOUNDS USEFUL IN THEIR MANUFACTURE | SOLVAY SA (BE) | 2018-12-12 | — | — | EP | disclosed |
| EP-3412655-A1 | PROCESSES FOR THE MANUFACTURE OF HALOALKYL PYRIMIDYL COMPOUNDS, AND COMPOUNDS USEFUL IN THEIR MANUFACTURE | SOLVAY SA (BE) | 2018-12-12 | — | — | EP | disclosed |
| EP-0448544-B1 | Process for preparation of fluoromethyl-substituted piperidine carbodithioates | ROHM & HAAS (US) | 1996-07-03 | — | — | EP | disclosed |
| EP-0448543-B1 | Process for preparation of fluoromethyl-substituted pyridine carbodithioates | ROHM & HAAS (US) | 1995-12-06 | — | — | EP | disclosed |
| EP-0448541-B1 | Process for preparation of fluoromethyl-substituted pyridine carbodithioates | ROHM & HAAS (US) | 1995-11-22 | — | — | EP | disclosed |
| EP-0448542-B1 | Process for preparation of fluoromethyl-substituted dihydropyridine carbodithioates | ROHM & HAAS (US) | 1995-11-22 | — | — | EP | disclosed |
| US-5099023-A | Dehydrofluorination | MONSANTO COMPANY (US) | 1992-03-24 | — | — | US | disclosed |
| US-5055583-A | Reactive contact with catalytic 1,2-diazabicyclo(2.2.2)octane, salt formation; dehydrohalogenation | MONSANTO COMPANY (US) | 1991-10-08 | — | — | US | disclosed |
| EP-0448541-A2 | Process for preparation of fluoromethyl-substituted pyridine carbodithioates | ROHM AND HAAS COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| EP-0448543-A2 | Process for preparation of fluoromethyl-substituted pyridine carbodithioates | ROHM AND HAAS COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| EP-0448544-A2 | Process for preparation of fluoromethyl-substituted piperidine carbodithioates | ROHM AND HAAS COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| EP-0448542-A2 | Process for preparation of fluoromethyl-substituted dihydropyridine carbodithioates | ROHM AND HAAS COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| US-5051512-A | Reaction of trifluoroacetic acid thiomethyl ester and ammonia, reaction with an alkyl aldehyde and heating | MONSANTO COMPANY (US) | 1991-09-24 | — | — | US | disclosed |
| US-4785129-A | Methyl 4,4,4-trifluoro-3-oxo-butanethioate | MONSANTO COMPANY (US) | 1988-11-15 | — | — | US | disclosed |
| US-4785129-A | Methyl 4,4,4-trifluoro-3-oxo-butanethioate | MONSANTO COMPANY (US) | 1988-11-15 | — | — | US | disclosed |