⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25568364 | 0.73 | — | — | |
| SCHEMBL25573152 | 0.72 | DCUN1D1 (0.38) | — | |
| SCHEMBL9985421 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL12406668 | 0.65 | — | — | |
| SCHEMBL3279197 | 0.65 | CYP2C9 (0.32) | — | |
| SCHEMBL25568367 | 0.64 | CYP1A2 (0.34) | — | |
| SCHEMBL25568370 | 0.64 | CYP4F2 (0.33) | — | |
| SCHEMBL25568372 | 0.64 | CYP4F2 (0.33) | — | |
| SCHEMBL2176032 | 0.62 | — | — | |
| SCHEMBL26402055 | 0.61 | ALDH1A1 (0.32) | — |
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-20230159517-A1 | CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | US | disclosed |