⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19242737 | 0.93 | — | — | |
| SCHEMBL3844234 | 0.78 | — | — | |
| SCHEMBL11243243 | 0.74 | — | — | |
| SCHEMBL18594385 | 0.74 | — | — | |
| SCHEMBL3871156 | 0.70 | — | — | |
| SCHEMBL11767368 | 0.69 | — | — | |
| SCHEMBL14295528 | 0.68 | — | — | |
| SCHEMBL18844154 | 0.68 | — | — | |
| SCHEMBL10313066 | 0.67 | GABRR1 (0.31) | — | |
| SCHEMBL22403731 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220187709-A1 | FILM-FORMING COMPOSITION | NISSAN CHEMICAL CORPORATION (JP) | 2022-06-16 | — | — | US | disclosed |