⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18525015 | 0.83 | — | — | |
| SCHEMBL9281605 | 0.78 | — | — | |
| SCHEMBL12213958 | 0.75 | — | — | |
| SCHEMBL1104143 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL14546055 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL27281912 | 0.65 | HTT (0.31) | — | |
| SCHEMBL20803857 | 0.64 | KDM4E (0.40) | — | |
| SCHEMBL23636855 | 0.63 | — | — | |
| SCHEMBL14049413 | 0.63 | — | — | |
| SCHEMBL276838 | 0.63 | TSHR (0.38) | — |
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 |