⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28148119 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL29093233 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL428320 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL619867 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL7138282 | 0.79 | — | — | |
| SCHEMBL29093054 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL3885660 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL764399 | 0.79 | — | — | |
| SCHEMBL19629759 | 0.78 | GPR84 (0.39) | — | |
| SCHEMBL7705777 | 0.78 | GPR84 (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250154193-A1 | STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Cholesgen (Shanghai) Co., Ltd. (CN) | 2025-05-15 | — | — | US | disclosed |
| WO-2023143399-A1 | STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 珂阑(上海)医药科技有限公司 | 2023-08-03 | — | — | WO | disclosed |
| CN-116514893-A | Steroid compound, preparation method and application thereof | 珂阑(上海)医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |
| EP-0232328-B1 | ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS | SCHERING CORPORATION (US) | 1992-04-15 | — | — | EP | disclosed |
| EP-0232328-A1 | ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS. | SCHERING CORP (US) | 1987-08-19 | — | — | EP | disclosed |
| WO-1987000752-A2 | ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS | SCHERING CORPORATION (US) | 1987-02-12 | — | — | WO | disclosed |
| US-4410647-A | POLYANHYDRIDE, 2-ACETOXYTRIMETHYLENEBIS/ANHYDROTRIMELLITATE/ | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1983-10-18 | — | — | US | disclosed |
| EP-0053280-A1 | Sealing composition, method for preparing said composition, integrated circuit module sealed therewith, and process for sealing | International Business Machines Corporation (US) | 1982-06-09 | — | — | EP | disclosed |