⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18501601 | 0.95 | — | — | |
| SCHEMBL18506490 | 0.91 | — | — | |
| SCHEMBL18506450 | 0.83 | KMT2A (0.35) | — | |
| SCHEMBL18506494 | 0.81 | — | — | |
| SCHEMBL18923679 | 0.77 | — | — | |
| SCHEMBL18506557 | 0.75 | KMT2A (0.33) | — | |
| SCHEMBL18506480 | 0.73 | — | — | |
| SCHEMBL18506481 | 0.73 | PKM (0.38) | — | |
| SCHEMBL17214362 | 0.73 | ICAM1 (0.39) | — | |
| SCHEMBL18506478 | 0.68 | — | — |
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-9670226-B2 | Sesquiterpenoids | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2017-06-06 | — | — | US | disclosed |