⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23630231 | 0.85 | APP (0.34) | — | |
| SCHEMBL23630235 | 0.81 | APP (0.33) | — | |
| SCHEMBL16353040 | 0.74 | CYP2C19 (0.54) | — | |
| SCHEMBL20239858 | 0.74 | MAPT (0.42) | — | |
| SCHEMBL3742820 | 0.73 | — | — | |
| SCHEMBL10823737 | 0.73 | — | — | |
| SCHEMBL16353019 | 0.72 | CYP2C19 (0.33) | — | |
| SCHEMBL2718707 | 0.70 | CYP2C19 (0.39) | — | |
| SCHEMBL2718709 | 0.70 | CYP2C19 (0.39) | — | |
| SCHEMBL16353039 | 0.69 | APP (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 |
|---|---|---|---|---|---|---|---|
| EP-4378928-A1 | NAPHTHALENE DITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION METHODS AND USES FOR SAME | SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2024-06-05 | — | — | EP | disclosed |