⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9281036 | 0.83 | SLC6A2 (0.33) | — | |
| SCHEMBL13683429 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL9283447 | 0.80 | CYP1A2 (0.35) | — | |
| SCHEMBL9284842 | 0.77 | SLC6A2 (0.33) | — | |
| SCHEMBL24080142 | 0.73 | LTA4H (0.36) | — | |
| SCHEMBL18602764 | 0.72 | ADH1C (0.35) | — | |
| SCHEMBL12449085 | 0.71 | LTA4H (0.38) | — | |
| SCHEMBL20803753 | 0.70 | HRH4 (0.34) | — | |
| SCHEMBL9290239 | 0.68 | ADH1A (0.41) | — | |
| SCHEMBL13082953 | 0.68 | ADH1A (0.42) | — |
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-20230031954-A1 | TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT | TETRAPHASE PHARMACEUTICALS, INC. | 2023-02-02 | — | — | US | disclosed |