⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1938 | 0.94 | — | — | |
| SCHEMBL29818845 | 0.94 | TSHR (1.00) | — | |
| SCHEMBL3422882 | 0.89 | TSHR (0.89) | — | |
| SCHEMBL9193935 | 0.89 | — | — | |
| SCHEMBL8376424 | 0.89 | — | — | |
| Lithium SCHEMBL929003 | 0.89 | TSHR (0.89) | — | |
| SCHEMBL7249115 | 0.89 | — | — | |
| SCHEMBL6223954 | 0.89 | — | — | |
| Methane SCHEMBL9362880 | 0.89 | — | — | |
| SCHEMBL8379533 | 0.89 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0658552-B1 | Process for the preparation of alpha-tocopherol derivatives | EISAI CO LTD (JP) | 1999-03-31 | — | — | EP | claimed |
| US-5532387-A | CYCLIZATION OF TRIMETHYLHYDROQUINONE AND AN ALKENYL ALCOHOL, REUSABLE CATALYST, IIIB FLUOROSULFONATE, NITRATE, SULFATE, OR FLUOROALKYLSULFONATE | EISAI CO., LTD. (JP) | 1996-07-02 | — | — | US | claimed |
| EP-0658552-A1 | Process for the preparation of alpha-tocopherol derivatives | Eisai Co., Ltd. (JP) | 1995-06-21 | — | — | EP | claimed |
| JP-7224054-A | — | — | None | — | — | JP | disclosed |
| EP-1778661-B1 | PROCESS FOR THE MANUFACTURE OF CHROMAN DERIVATIVES, ESPECIALLY ALPHA-TOCOPHEROL AND ALKANOATES THEREOF | DSM IP ASSETS BV (NL) | 2014-01-22 | — | — | EP | disclosed |
| US-8431727-B2 | Process for the manufacture of chroman derivatives, especially α-tocopherol and alka-noates thereof | DSM ASSETS B.V. (NL) | 2013-04-30 | — | — | US | disclosed |
| US-20090176998-A1 | Process for the manufacture of chroman derivatives, especially alpha-tocopherol and alka-noates thereof | DSM ASSETS B.V. (NL) | 2009-07-09 | — | — | US | disclosed |
| US-20050277777-A1 | Process for the manufacture of chroman derivatives, especially alpha-tocopherol and alkanoates thereof | BONRATH WERNER | 2005-12-15 | — | — | US | disclosed |
| EP-0658552-B1 | Process for the preparation of alpha-tocopherol derivatives | EISAI CO LTD (JP) | 1999-03-31 | — | — | EP | disclosed |
| US-5532387-A | CYCLIZATION OF TRIMETHYLHYDROQUINONE AND AN ALKENYL ALCOHOL, REUSABLE CATALYST, IIIB FLUOROSULFONATE, NITRATE, SULFATE, OR FLUOROALKYLSULFONATE | EISAI CO., LTD. (JP) | 1996-07-02 | — | — | US | disclosed |
| JP-H07224054-A | PRODUCTION OF ALPHA-TOCOPHEROL DERIVATIVE | EISAI CO LTD | 1995-08-22 | — | — | JP | disclosed |
| EP-0658552-A1 | Process for the preparation of alpha-tocopherol derivatives | Eisai Co., Ltd. (JP) | 1995-06-21 | — | — | EP | disclosed |