⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5673298 | 0.58 | — | — | |
| SCHEMBL1650974 | 0.56 | — | — | |
| SCHEMBL29872184 | 0.56 | — | — | |
| SCHEMBL11843126 | 0.56 | — | — | |
| SCHEMBL21465803 | 0.55 | — | — | |
| SCHEMBL2137530 | 0.54 | — | — | |
| SCHEMBL5693069 | 0.54 | — | — | |
| SCHEMBL500607 | 0.54 | — | — | |
| SCHEMBL12985796 | 0.54 | ALDH1A1 (0.33) | — | |
| SCHEMBL6905564 | 0.51 | — | — |
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-2019200314-A2 | HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-10-17 | — | — | WO | disclosed |