⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31305670 | 0.73 | HPGD (0.43) | — | |
| SCHEMBL1157180 | 0.70 | — | — | |
| SCHEMBL4777648 | 0.65 | CHRM2 (0.30) | — | |
| SCHEMBL31703586 | 0.64 | TFPI2 (0.30) | — | |
| SCHEMBL1854729 | 0.62 | — | — | |
| SCHEMBL28429259 | 0.61 | — | — | |
| SCHEMBL17336127 | 0.61 | ACE (0.33) | — | |
| SCHEMBL28856332 | 0.61 | ACE (0.30) | — | |
| SCHEMBL29183121 | 0.61 | TSHR (0.34) | — | |
| SCHEMBL30565809 | 0.61 | TSHR (0.34) | — |
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-2015040406-A2 | AGRICULTURAL CHEMICALS | REDX PHARMA LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |