⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22624222 | 0.89 | NOS3 (0.31) | — | |
| SCHEMBL22624148 | 0.85 | — | — | |
| SCHEMBL10160074 | 0.79 | RORC (0.33) | — | |
| SCHEMBL22430480 | 0.75 | — | — | |
| SCHEMBL6890281 | 0.72 | S1PR4 (0.35) | — | |
| SCHEMBL7859519 | 0.72 | — | — | |
| SCHEMBL9944465 | 0.72 | KCNH2 (0.38) | — | |
| SCHEMBL21191592 | 0.70 | CNR2 (0.31) | — | |
| SCHEMBL19255440 | 0.70 | ATM (0.31) | — | |
| SCHEMBL9946182 | 0.69 | S1PR1 (0.47) | — |
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 |