⚠ 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 SCHEMBL28112374 | 0.98 | — | — | |
| SCHEMBL27627492 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28276461 | 0.81 | SLC6A1 (0.47) | — | |
| SCHEMBL27699178 | 0.79 | CHRNB2 (0.40) | — | |
| SCHEMBL27798459 | 0.76 | — | — | |
| SCHEMBL5253997 | 0.76 | TDP1 (0.38) | — | |
| SCHEMBL133081 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28271143 | 0.75 | TDP1 (0.41) | — | |
| SCHEMBL317021 | 0.72 | — | — | |
| SCHEMBL457302 | 0.72 | — | — |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113382982-B | Preparation method of siponimod | 广东东阳光药业有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-114835618-A | Preparation method of siponimod | 广东东阳光药业有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-113382982-A | Preparation method of siponimod | 广东东阳光药业有限公司 | 2021-09-10 | — | — | CN | claimed |
| CN-103119038-B | As 4-(5-isoxazolyl or 5-pyrazolyl-1,2, the 4-oxadiazolyl-3-yl) mandelic acidamide of S1P 1 receptor stimulating agent | BRISTOL-MYERS SQUIBB CO. (US) | 2016-05-04 | — | — | CN | claimed |
| CN-103119038-A | 4 - (5 - isoxazolyl or 5 - pyrrazolyl -1,2,4- oxadiazol - 3 - yl) -mandelic acid amides as sphingosin- 1 - phosphate 1 rreceptor agonists | BRISTOL MYERS SQUIBB CO | 2013-05-22 | — | — | CN | claimed |
| WO-2011014520-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY | IRM LLC (BM) | 2011-02-03 | — | — | WO | claimed |
| WO-2023215220-A1 | MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE | ESPERION THERAPEUTICS, INC. (US) | 2023-11-09 | — | — | WO | disclosed |
| CN-113382982-B | Preparation method of siponimod | 广东东阳光药业有限公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-113382982-B | Preparation method of siponimod | 广东东阳光药业有限公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-114835618-A | Preparation method of siponimod | 广东东阳光药业有限公司 | 2022-08-02 | — | — | CN | disclosed |
| WO-2021203131-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-10-07 | — | — | WO | disclosed |
| CN-113382982-A | Preparation method of siponimod | 广东东阳光药业有限公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-113382982-A | Preparation method of siponimod | 广东东阳光药业有限公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-103119038-B | As 4-(5-isoxazolyl or 5-pyrazolyl-1,2, the 4-oxadiazolyl-3-yl) mandelic acidamide of S1P 1 receptor stimulating agent | BRISTOL-MYERS SQUIBB CO. (US) | 2016-05-04 | — | — | CN | disclosed |
| CN-102159207-B | Substituted pyrrolidine-2-carboxamides | HOFFMANN LA ROCHE | 2015-02-04 | — | — | CN | disclosed |
| CN-103119038-A | 4 - (5 - isoxazolyl or 5 - pyrrazolyl -1,2,4- oxadiazol - 3 - yl) -mandelic acid amides as sphingosin- 1 - phosphate 1 rreceptor agonists | BRISTOL MYERS SQUIBB CO | 2013-05-22 | — | — | CN | disclosed |
| CN-1787817-B | Immunosuppressant compounds and compositions | IRM LLC | 2011-09-07 | — | — | CN | disclosed |
| CN-102159207-A | Substituted pyrrolidine-2-carboxamides | HOFFMANN LA ROCHE | 2011-08-17 | — | — | CN | disclosed |
| WO-2011014520-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY | IRM LLC (BM) | 2011-02-03 | — | — | WO | disclosed |
| CN-1787817-A | Immunosuppressant compounds and compositions | IRM LLC (BM) | 2006-06-14 | — | — | CN | disclosed |