⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6802769 | 1.00 | — | — | |
| SCHEMBL6802772 | 1.00 | — | — | |
| SCHEMBL15374982 | 0.77 | — | — | |
| SCHEMBL13807257 | 0.77 | — | — | |
| SCHEMBL15373068 | 0.77 | — | — | |
| SCHEMBL8135885 | 0.77 | — | — | |
| SCHEMBL2437265 | 0.77 | — | — | |
| SCHEMBL15601155 | 0.77 | — | — | |
| SCHEMBL15601423 | 0.77 | — | — | |
| SCHEMBL2803435 | 0.74 | MAN1B1 (0.36) | — |
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-8933018-B2 | Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |