⚠ 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) | — | |
| SCHEMBL6223954 | 0.89 | — | — | |
| SCHEMBL8376438 | 0.89 | — | — | |
| SCHEMBL8378123 | 0.89 | — | — | |
| SCHEMBL8377677 | 0.89 | — | — | |
| Methane SCHEMBL9362880 | 0.89 | — | — | |
| SCHEMBL6123214 | 0.89 | — | — | |
| Lithium SCHEMBL929003 | 0.89 | TSHR (0.89) | — | |
| SCHEMBL7249115 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112981537-B | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2022-02-18 | — | — | CN | claimed |
| CN-112981537-A | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2021-06-18 | — | — | CN | claimed |
| 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 |
| CN-112981537-B | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2022-02-18 | — | — | CN | disclosed |
| CN-112981537-B | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2022-02-18 | — | — | CN | disclosed |
| CN-112981537-B | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2022-02-18 | — | — | CN | disclosed |
| CN-112981537-A | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2021-06-18 | — | — | CN | disclosed |
| CN-112981537-A | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2021-06-18 | — | — | CN | disclosed |
| CN-112981537-A | Cerium fluorosulfate second-order nonlinear optical crystal material and preparation method and application thereof | 同济大学 | 2021-06-18 | — | — | CN | 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 |
| EP-0658552-A1 | Process for the preparation of alpha-tocopherol derivatives | Eisai Co., Ltd. (JP) | 1995-06-21 | — | — | EP | disclosed |