⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22018227 | 0.85 | TP53 (0.30) | — | |
| SCHEMBL22018224 | 0.83 | — | — | |
| SCHEMBL22018385 | 0.82 | MAPT (0.31) | — | |
| SCHEMBL22018373 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL22018221 | 0.69 | — | — | |
| SCHEMBL22018211 | 0.69 | MEN1 (0.37) | — | |
| SCHEMBL22018225 | 0.67 | — | — | |
| SCHEMBL22018386 | 0.66 | HCRTR1 (0.36) | — | |
| SCHEMBL22018208 | 0.66 | MAPT (0.32) | — | |
| SCHEMBL22018388 | 0.65 | NPC1 (0.32) | — |
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-2020099793-A1 | NOVEL BENZOTHIOXANTHENE P-CONJUGATED MOLECULES FOR ENERGY STORAGE | UNIVERSITE D'ANGERS (FR) | 2020-05-22 | — | — | WO | disclosed |