⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6580763 | 0.91 | PABPC1 (0.50) | — | |
| SCHEMBL6217663 | 0.91 | PABPC1 (0.50) | — | |
| SCHEMBL6218973 | 0.89 | PABPC1 (0.53) | — | |
| SCHEMBL8798930 | 0.80 | PABPC1 (0.36) | — | |
| SCHEMBL8996630 | 0.77 | PABPC1 (0.34) | — | |
| SCHEMBL10567741 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL9003906 | 0.75 | SIGMAR1 (0.45) | — | |
| SCHEMBL1077396 | 0.71 | — | — | |
| SCHEMBL1204186 | 0.71 | — | — | |
| SCHEMBL150257 | 0.71 | — | — |
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-11192886-B2 | S1P1 agonist and application thereof | MEDSHINE DISCOVERY INC. (CN) | 2021-12-07 | — | — | US | disclosed |