⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23346523 | 0.78 | GLB1 (0.36) | — | |
| SCHEMBL5321773 | 0.78 | — | — | |
| SCHEMBL16143068 | 0.78 | — | — | |
| SCHEMBL23346542 | 0.77 | — | — | |
| SCHEMBL9975335 | 0.77 | — | — | |
| SCHEMBL13660714 | 0.77 | — | — | |
| SCHEMBL1584880 | 0.77 | — | — | |
| SCHEMBL23346522 | 0.77 | FUCA1 (0.41) | — | |
| SCHEMBL23346565 | 0.74 | MTNR1A (0.32) | — | |
| SCHEMBL21807459 | 0.73 | GBA1 (0.30) | — |
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-20210137881-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) | 2021-05-13 | — | — | US | disclosed |