⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24946336 | 1.00 | — | — | |
| SCHEMBL24946340 | 0.72 | SLC6A4 (0.36) | — | |
| SCHEMBL21843741 | 0.72 | SLC6A4 (0.36) | — | |
| SCHEMBL21843739 | 0.69 | SLC6A4 (0.30) | — | |
| SCHEMBL21843743 | 0.68 | SLC6A4 (0.31) | — | |
| SCHEMBL21917419 | 0.68 | SLC6A4 (0.31) | — | |
| SCHEMBL3058648 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL26906347 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL24424403 | 0.60 | — | — | |
| SCHEMBL17838270 | 0.60 | SLC6A4 (0.35) | — |
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-11566001-B2 | Hepatitis B capsid assembly modulators | VenatoRx Pharmaceuticals, Inc. (US) | 2023-01-31 | — | — | US | disclosed |