⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20102345 | 0.62 | APEX1 (0.30) | — | |
| SCHEMBL983171 | 0.46 | ABL1 (0.59) | — | |
| SCHEMBL11106060 | 0.46 | GAA (0.56) | — | |
| SCHEMBL9665549 | 0.46 | ADRA2C (0.47) | — | |
| SCHEMBL22730801 | 0.45 | KMT2A (0.31) | — | |
| SCHEMBL20794010 | 0.45 | RIPK1 (0.52) | — | |
| SCHEMBL12948673 | 0.45 | — | — | |
| SCHEMBL12648597 | 0.45 | — | — | |
| SCHEMBL82278 | 0.45 | — | — | |
| SCHEMBL12648729 | 0.45 | — | — |
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-20180118765-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2018-05-03 | — | — | US | disclosed |