⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15081470 | 1.00 | — | — | |
| SCHEMBL15081571 | 1.00 | — | — | |
| SCHEMBL18552446 | 0.77 | — | — | |
| SCHEMBL3241359 | 0.75 | HTT (0.35) | — | |
| SCHEMBL3241369 | 0.75 | HTT (0.35) | — | |
| SCHEMBL18993482 | 0.73 | PTGS1 (0.33) | — | |
| SCHEMBL9577026 | 0.73 | — | — | |
| SCHEMBL18349201 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL18349202 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL18349204 | 0.73 | — | — |
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-20160137663-A1 | NOVEL SESQUITERPENOID STAT3 INHIBITORS | UNIVERSITY OF HAWAII (US) | 2016-05-19 | — | — | US | disclosed |