⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12111096 | 0.87 | — | — | |
| SCHEMBL18766211 | 0.83 | — | — | |
| SCHEMBL17849876 | 0.82 | RIPK1 (0.30) | — | |
| SCHEMBL17849874 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL12108589 | 0.70 | — | — | |
| SCHEMBL12111180 | 0.66 | RIPK1 (0.33) | — | |
| SCHEMBL17849897 | 0.66 | PDE3B (0.31) | — | |
| SCHEMBL17849865 | 0.64 | — | — | |
| SCHEMBL18766591 | 0.64 | — | — | |
| SCHEMBL16306318 | 0.61 | — | — |
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-9371283-B2 | Polycyclic tetracycline compounds | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2016-06-21 | — | — | US | disclosed |