⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21522310 | 0.77 | GBA1 (0.30) | — | |
| SCHEMBL21807459 | 0.77 | GBA1 (0.30) | — | |
| SCHEMBL22440457 | 0.77 | GBA1 (0.30) | — | |
| SCHEMBL16143068 | 0.74 | — | — | |
| SCHEMBL5321773 | 0.74 | — | — | |
| SCHEMBL22631271 | 0.72 | — | — | |
| SCHEMBL22208211 | 0.72 | — | — | |
| SCHEMBL19339596 | 0.72 | ARG1 (0.49) | — | |
| SCHEMBL17011901 | 0.72 | ARG1 (0.49) | — | |
| SCHEMBL18093991 | 0.72 | — | — |
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-3735299-A2 | FUSED RING COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2020-11-11 | — | — | EP | disclosed |