⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18501581 | 1.00 | — | — | |
| SCHEMBL18501580 | 0.88 | — | — | |
| SCHEMBL18501584 | 0.86 | — | — | |
| SCHEMBL18506482 | 0.85 | — | — | |
| SCHEMBL18506486 | 0.85 | KMT2A (0.34) | — | |
| SCHEMBL18501597 | 0.85 | KMT2A (0.34) | — | |
| SCHEMBL17214362 | 0.85 | ICAM1 (0.39) | — | |
| SCHEMBL18506480 | 0.84 | — | — | |
| SCHEMBL18501583 | 0.84 | KMT2A (0.34) | — | |
| SCHEMBL18501599 | 0.83 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2015161824-A2 | SESQUITERPENOIDS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2015-10-29 | — | — | WO | disclosed |