⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23558151 | 1.00 | — | — | |
| SCHEMBL23558161 | 0.88 | QDPR (0.32) | — | |
| SCHEMBL23558342 | 0.88 | QDPR (0.32) | — | |
| SCHEMBL23558099 | 0.86 | — | — | |
| SCHEMBL23558241 | 0.83 | — | — | |
| SCHEMBL23558141 | 0.83 | — | — | |
| SCHEMBL23558088 | 0.83 | HSD17B1 (0.33) | — | |
| SCHEMBL23558171 | 0.83 | HSD17B1 (0.33) | — | |
| SCHEMBL23558230 | 0.82 | — | — | |
| SCHEMBL23558092 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230234946-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | TREVENA, INC. | 2023-07-27 | — | — | US | disclosed |
| US-20210188826-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | TREVENA, INC. | 2021-06-24 | — | — | US | disclosed |