⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16843059 | 1.00 | — | — | |
| SCHEMBL19814579 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL23610844 | 0.98 | PKM (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL16829055 | 0.82 | PKM (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL21048455 | 0.82 | PKM (0.41) | — | |
| SCHEMBL4116200 | 0.79 | — | — | |
| SCHEMBL16486797 | 0.78 | ADRA2A (0.33) | — | |
| SCHEMBL22623129 | 0.77 | PKM (0.42) | — | |
| SCHEMBL15362634 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL17152169 | 0.76 | L3MBTL1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019192506-A1 | IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2019-10-10 | — | — | WO | disclosed |