⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10252968 | 0.64 | — | — | |
| SCHEMBL6207667 | 0.60 | — | — | |
| SCHEMBL16485585 | 0.59 | — | — | |
| SCHEMBL23369032 | 0.53 | — | — | |
| SCHEMBL13948235 | 0.46 | PRSS1 (0.63) | — | |
| SCHEMBL537030 | 0.46 | LMNA (0.77) | — | |
| SCHEMBL18327710 | 0.45 | — | — | |
| Pyrrole SCHEMBL6566537 | 0.45 | — | — | |
| Hydrochloric Acid SCHEMBL30999366 | 0.45 | PRSS1 (0.78) | — | |
| SCHEMBL570870 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107580595-B | Heterocyclic compounds and their use in the prevention or treatment of bacterial infections | 拜欧蒂姆公司 | 2020-09-18 | — | — | CN | disclosed |