⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL11199791 | 1.00 | ALDH1A1 (0.33) | — | |
| SCHEMBL9662827 | 0.86 | — | — | |
| SCHEMBL11499451 | 0.78 | — | — | |
| SCHEMBL9662731 | 0.78 | — | — | |
| SCHEMBL11120679 | 0.78 | — | — | |
| SCHEMBL10612741 | 0.73 | — | — | |
| SCHEMBL26929271 | 0.72 | HSD11B1 (0.31) | — | |
| SCHEMBL28727379 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL10843911 | 0.71 | — | — | |
| Potassium SCHEMBL29523905 | 0.69 | ALDH1A1 (0.35) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5093532-A | PROCESS FOR THE PREPARATION OF HALOGENOMETHYLKETONES, IN PARTICULAR OF 1,1,1-TRIFLUOROACETONE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | claimed |
| EP-0470462-A2 | Process for the preparation of halogenated methylketones, especially 1,1,1-trifluoracetone | BAYER AG (DE) | 1992-02-12 | — | — | EP | claimed |
| CN-1835800-B | Oxidation catalyst | ASAHI CHEMICAL CORP (JP) | 2010-04-28 | — | — | CN | disclosed |
| CN-1835800-A | Oxidation catalyst | ASAHI CHEMICAL CORP (JP) | 2006-09-20 | — | — | CN | disclosed |
| US-5362477-A | 19F magnetic resonance imaging agents which include a nitroxide moiety | MALLINCKRODT MEDICAL, INC. (US) | 1994-11-08 | — | — | US | disclosed |
| US-5093532-A | PROCESS FOR THE PREPARATION OF HALOGENOMETHYLKETONES, IN PARTICULAR OF 1,1,1-TRIFLUOROACETONE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | disclosed |
| US-5093532-A | PROCESS FOR THE PREPARATION OF HALOGENOMETHYLKETONES, IN PARTICULAR OF 1,1,1-TRIFLUOROACETONE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | disclosed |
| EP-0470462-A2 | Process for the preparation of halogenated methylketones, especially 1,1,1-trifluoracetone | BAYER AG (DE) | 1992-02-12 | — | — | EP | disclosed |
| EP-0470462-A2 | Process for the preparation of halogenated methylketones, especially 1,1,1-trifluoracetone | BAYER AG (DE) | 1992-02-12 | — | — | EP | disclosed |
| EP-0116886-B1 | PROCESS FOR THE PREPARATION OF FLUORINATED NITROALKANES | BAYER AG (DE) | 1987-01-14 | — | — | EP | disclosed |
| EP-0116885-B1 | PROCESS FOR THE PREPARATION OF FLUORINATED NITROALKANES | BAYER AG (DE) | 1987-01-07 | — | — | EP | disclosed |
| US-4622427-A | Process for the preparation of partially hydrogenated derivatives of 2-nitro-1,1,1-trifluoroalkanes | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-11 | — | — | US | disclosed |
| US-4533776-A | FROM OLEFINS, IN PRESENCE OF WATER BINDING COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1985-08-06 | — | — | US | disclosed |
| US-4518812-A | REACTION OF OLEFIN WITH HYDROGEN FLUGRIDE AND NITRIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0137418-A1 | Process for the production of partially hydrogenated derivatives of 2-nitro-1,1,1-trifluoralkanes | BAYER AG (DE) | 1985-04-17 | — | — | EP | disclosed |
| EP-0116886-A1 | Process for the preparation of fluorinated nitroalkanes | BAYER AG (DE) | 1984-08-29 | — | — | EP | disclosed |
| EP-0116885-A1 | Process for the preparation of fluorinated nitroalkanes | BAYER AG (DE) | 1984-08-29 | — | — | EP | disclosed |
| US-4459151-A | Herbicidally active fluorine-containing 4,6-diamino-s-triazines | BAYER AKTIENGESELLSCHAFT (DE) | 1984-07-10 | — | — | US | disclosed |
| EP-0094538-A2 | Fluor-containing 4,6-diamino-s-triazines, process and intermediates for their preparation, and their use as herbicides | BAYER AG (DE) | 1983-11-23 | — | — | EP | disclosed |
| EP-0073974-A2 | 4,6-Diamino-s-triazines containing fluor, process and intermediates for their preparation and their use as herbicides | BAYER AG (DE) | 1983-03-16 | — | — | EP | disclosed |