⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17100550 | 1.00 | — | — | |
| SCHEMBL17100558 | 0.74 | SLC7A5 (0.37) | — | |
| SCHEMBL724701 | 0.71 | — | — | |
| SCHEMBL724702 | 0.71 | — | — | |
| SCHEMBL6849192 | 0.71 | TP53 (0.42) | — | |
| SCHEMBL2181878 | 0.71 | — | — | |
| SCHEMBL5313814 | 0.70 | TP53 (0.36) | — | |
| SCHEMBL15727234 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6862237 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9524923 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3119799-A1 | ANTIMICROBIAL COMPOUNDS | Biomérieux (FR) | 2017-01-25 | — | — | EP | disclosed |
| WO-2015140481-A1 | ANTIMICROBIAL COMPOUNDS | bioMérieux (FR) | 2015-09-24 | — | — | WO | disclosed |