⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28943180 | 0.82 | — | — | |
| SCHEMBL27937582 | 0.82 | — | — | |
| SCHEMBL2481052 | 0.79 | — | — | |
| SCHEMBL31178341 | 0.74 | — | — | |
| SCHEMBL11087183 | 0.73 | — | — | |
| SCHEMBL3164668 | 0.68 | — | — | |
| SCHEMBL3786355 | 0.68 | — | — | |
| SCHEMBL5655401 | 0.66 | — | — | |
| SCHEMBL1899979 | 0.65 | — | — | |
| SCHEMBL7339316 | 0.65 | ALDH1A1 (0.31) | — |
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-2023077218-A1 | PHOTOCATALYSTS, PREPARATION AND USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) | 2023-05-11 | — | — | WO | disclosed |