⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14112879 | 0.75 | — | — | |
| SCHEMBL22932255 | 0.69 | — | — | |
| SCHEMBL10796141 | 0.67 | — | — | |
| SCHEMBL9777853 | 0.65 | — | — | |
| SCHEMBL576926 | 0.64 | — | — | |
| SCHEMBL576470 | 0.64 | — | — | |
| SCHEMBL25142370 | 0.63 | — | — | |
| SCHEMBL21913789 | 0.63 | — | — | |
| SCHEMBL20130524 | 0.63 | — | — | |
| SCHEMBL28225305 | 0.63 | — | — |
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-3043791-B1 | ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT | PITNEY PHARMACEUTICALS PTY LTD (AU) | 2019-04-24 | — | — | EP | disclosed |