⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25857017 | 0.63 | QPCT (0.48) | — | |
| SCHEMBL25857018 | 0.63 | QPCT (0.42) | — | |
| SCHEMBL6008269 | 0.61 | MAPT (0.50) | — | |
| SCHEMBL31143361 | 0.61 | MAPT (0.50) | — | |
| SCHEMBL17137755 | 0.60 | MAPT (0.44) | — | |
| SCHEMBL13137124 | 0.60 | PIK3CA (0.36) | — | |
| SCHEMBL13137122 | 0.60 | OPRM1 (0.38) | — | |
| SCHEMBL13373486 | 0.59 | PARP1 (0.46) | — | |
| SCHEMBL13137125 | 0.59 | OPRM1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3043817 | 0.59 | PIK3CA (0.36) | — |
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 1 patent. 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 |