⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22446198 | 0.87 | — | — | |
| SCHEMBL23192883 | 0.87 | — | — | |
| SCHEMBL23956442 | 0.87 | — | — | |
| SCHEMBL18412504 | 0.84 | FKBP1A (0.33) | — | |
| SCHEMBL17500043 | 0.82 | — | — | |
| SCHEMBL11970909 | 0.80 | FKBP1A (0.31) | — | |
| SCHEMBL24607433 | 0.80 | — | — | |
| SCHEMBL6311139 | 0.80 | DUT (0.33) | — | |
| SCHEMBL14515531 | 0.80 | DUT (0.33) | — | |
| SCHEMBL6311142 | 0.80 | DUT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023091438-A1 | CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | WO | disclosed |