⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18501596 | 0.85 | KMT2A (0.36) | — | |
| SCHEMBL18506517 | 0.82 | KMT2A (0.35) | — | |
| SCHEMBL18501595 | 0.74 | — | — | |
| SCHEMBL18506506 | 0.72 | — | — | |
| SCHEMBL18506557 | 0.71 | KMT2A (0.33) | — | |
| SCHEMBL18501583 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL18923643 | 0.69 | KMT2A (0.33) | — | |
| SCHEMBL17214357 | 0.68 | PKM (0.36) | — | |
| SCHEMBL18501597 | 0.67 | KMT2A (0.34) | — | |
| SCHEMBL18506486 | 0.67 | KMT2A (0.34) | — |
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 |