⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24719950 | 0.93 | — | — | |
| SCHEMBL25492620 | 0.93 | — | — | |
| SCHEMBL15149899 | 0.91 | FGF1 (0.30) | — | |
| SCHEMBL10020490 | 0.91 | FGF1 (0.30) | — | |
| SCHEMBL24098480 | 0.91 | FGF1 (0.30) | — | |
| SCHEMBL20438425 | 0.83 | — | — | |
| SCHEMBL19543083 | 0.83 | — | — | |
| SCHEMBL12416889 | 0.83 | — | — | |
| SCHEMBL19543056 | 0.82 | — | — | |
| SCHEMBL20438427 | 0.81 | HPSE (0.33) | — |
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-2020027311-A1 | TDP-43 AGGREGATION INHIBITOR | 国立大学法人東京医科歯科大学 | 2020-02-06 | — | — | WO | disclosed |