⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20198455 | 0.61 | — | — | |
| SCHEMBL14611972 | 0.58 | HTT (0.33) | — | |
| SCHEMBL12744504 | 0.57 | ALOX15 (0.32) | — | |
| SCHEMBL4430215 | 0.55 | — | — | |
| SCHEMBL10446161 | 0.54 | ALOX15 (0.38) | — | |
| SCHEMBL18755273 | 0.54 | — | — | |
| SCHEMBL228422 | 0.54 | CDC25B (0.56) | — | |
| SCHEMBL18231832 | 0.53 | GLI1 (0.30) | — | |
| SCHEMBL14419763 | 0.53 | — | — | |
| SCHEMBL17451024 | 0.52 | — | — |
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-10357577-B2 | Bacterial nitroreductase enzymes and methods relating thereto | AUCKLAND UNISERVICES LIMITED (NZ) | 2019-07-23 | — | — | US | disclosed |