⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18531894 | 0.83 | — | — | |
| SCHEMBL17433228 | 0.73 | — | — | |
| SCHEMBL18477416 | 0.71 | — | — | |
| SCHEMBL12535596 | 0.71 | — | — | |
| SCHEMBL440914 | 0.71 | — | — | |
| SCHEMBL18470577 | 0.71 | — | — | |
| SCHEMBL15116596 | 0.71 | OPRM1 (0.33) | — | |
| SCHEMBL14072857 | 0.69 | — | — | |
| SCHEMBL21553479 | 0.69 | — | — | |
| SCHEMBL8339642 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240208978-A1 | IDH MUTANT INHIBITOR AND USE THEREOF | Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) | 2024-06-27 | — | — | US | disclosed |
| US-11912693-B2 | Compounds for modulating S1P1 activity and methods of using the same | TREVENA, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-20230234946-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | TREVENA, INC. | 2023-07-27 | — | — | US | disclosed |
| US-20230234946-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | TREVENA, INC. | 2023-07-27 | — | — | US | disclosed |
| US-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | TEIJIN PHARMA LIMITED (JP) | 2009-11-26 | — | — | US | disclosed |