⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9358975 | 0.97 | EPHX1 (0.38) | — | |
| SCHEMBL22435053 | 0.92 | EPHX1 (0.43) | — | |
| SCHEMBL470873 | 0.81 | — | — | |
| SCHEMBL25600758 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7307519 | 0.79 | — | — | |
| SCHEMBL9995800 | 0.78 | CES1 (0.30) | — | |
| SCHEMBL9995669 | 0.76 | CES1 (0.33) | — | |
| SCHEMBL9995625 | 0.76 | CES1 (0.33) | — | |
| SCHEMBL25049541 | 0.76 | EPHX1 (0.40) | — | |
| SCHEMBL2550081 | 0.75 | CA5B (0.37) | — |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3976612-A1 | NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 | MANKIND PHARMA LTD (IN) | 2022-04-06 | — | — | EP | claimed |
| EP-0489548-B1 | A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof | ZENECA LTD (GB) | 1994-12-14 | — | — | EP | claimed |
| US-5274118-A | Process for preparing (2R)-methyl-4,4,4-trifluorobutylamine | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-28 | — | — | US | claimed |
| EP-0489548-A1 | A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof | ZENECA LIMITED (GB) | 1992-06-10 | — | — | EP | claimed |
| US-20260001846-A1 | SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS | SERVIER LAB (FR) | 2026-01-01 | — | — | US | disclosed |
| US-11916195-B2 | Electrolyte solution, electrochemical device, lithium ion secondary battery, and module | DAIKIN INDUSTRIES, LTD. (JP) | 2024-02-27 | — | — | US | disclosed |
| US-11916195-B2 | Electrolyte solution, electrochemical device, lithium ion secondary battery, and module | DAIKIN INDUSTRIES, LTD. (JP) | 2024-02-27 | — | — | US | disclosed |
| US-20230348438-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2023-11-02 | — | — | US | disclosed |
| EP-4129973-A1 | LITHIUM SULFAMATE DERIVATIVES | Daikin Industries, Ltd. (JP) | 2023-02-08 | — | — | EP | disclosed |
| EP-3839007-B1 | ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT | CANON KK (JP) | 2022-12-07 | — | — | EP | disclosed |
| US-20220149433-A1 | COMPOUND, ELECTROLYTIC SOLUTION ADDITIVE, ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2022-05-12 | — | — | US | disclosed |
| EP-3976612-A1 | NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 | MANKIND PHARMA LTD (IN) | 2022-04-06 | — | — | EP | disclosed |
| US-20130085132-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2013-04-04 | — | — | US | disclosed |
| WO-2012033144-A1 | PYRAZOLOQUINOLINE COMPOUND | アステラス製薬株式会社 (JP) | 2012-03-15 | — | — | WO | disclosed |
| EP-0489548-B1 | A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof | ZENECA LTD (GB) | 1994-12-14 | — | — | EP | disclosed |
| US-5274118-A | Process for preparing (2R)-methyl-4,4,4-trifluorobutylamine | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-28 | — | — | US | disclosed |
| US-5274118-A | Process for preparing (2R)-methyl-4,4,4-trifluorobutylamine | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-28 | — | — | US | disclosed |
| US-5274118-A | Process for preparing (2R)-methyl-4,4,4-trifluorobutylamine | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-28 | — | — | US | disclosed |
| EP-0489548-A1 | A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof | ZENECA LIMITED (GB) | 1992-06-10 | — | — | EP | disclosed |
| EP-0489548-A1 | A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof | ZENECA LIMITED (GB) | 1992-06-10 | — | — | EP | disclosed |