⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3774555 | 1.00 | — | — | |
| SCHEMBL1743874 | 0.72 | — | — | |
| SCHEMBL1039276 | 0.70 | — | — | |
| SCHEMBL23367 | 0.70 | — | — | |
| SCHEMBL3661818 | 0.70 | — | — | |
| SCHEMBL8637388 | 0.70 | — | — | |
| SCHEMBL29365 | 0.67 | — | — | |
| SCHEMBL12487242 | 0.67 | — | — | |
| SCHEMBL2126231 | 0.67 | — | — | |
| SCHEMBL997893 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2336141-B1 | PHOSPHORAMIDATE ALKYLATOR PRODRUGS | THRESHOLD PHARMACEUTICALS INC (US) | 2016-03-30 | — | — | EP | disclosed |