⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15993487 | 0.80 | — | — | |
| SCHEMBL358519 | 0.76 | — | — | |
| SCHEMBL4473209 | 0.76 | — | — | |
| SCHEMBL6222333 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL14744435 | 0.74 | TDP1 (0.39) | — | |
| SCHEMBL23292963 | 0.71 | TLR7 (0.33) | — | |
| SCHEMBL278398 | 0.71 | NOS3 (0.38) | — | |
| SCHEMBL5541723 | 0.71 | — | — | |
| SCHEMBL9601363 | 0.70 | — | — | |
| SCHEMBL357743 | 0.70 | — | — |
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-2023060369-A1 | NOVEL CARBIMIDATE SUBSTITUTED BICYCLIC COMPOUNDS AND THEIR USE AS BETA-LACTAMASE INHIBITORS | NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) | 2023-04-20 | — | — | WO | disclosed |