⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12652725 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL25181084 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL21039897 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL18920649 | 0.71 | — | — | |
| SCHEMBL18920651 | 0.71 | — | — | |
| SCHEMBL22347751 | 0.65 | CYP19A1 (0.50) | — | |
| SCHEMBL22347748 | 0.65 | CYP19A1 (0.50) | — | |
| SCHEMBL13186847 | 0.60 | ACHE (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL9296211 | 0.60 | — | — | |
| SCHEMBL23840370 | 0.59 | GAA (0.37) | — |
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-2020113028-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-06-04 | — | — | WO | disclosed |