⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11036842 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL693560 | 0.71 | — | — | |
| SCHEMBL11038420 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7184114 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL11597967 | 0.70 | — | — | |
| SCHEMBL10392531 | 0.70 | — | — | |
| SCHEMBL11113331 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL10392478 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL11072806 | 0.68 | HCAR2 (0.38) | — | |
| SCHEMBL11485752 | 0.66 | TSHR (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10183943-B2 | Heterocyclic compounds and their use in preventing or treating bacterial infections | MUTABILIS (FR) | 2019-01-22 | — | — | US | disclosed |
| US-20180093985-A1 | Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections | MUTABILIS (FR) | 2018-04-05 | — | — | US | disclosed |