⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16644804 | 0.73 | — | — | |
| SCHEMBL812112 | 0.73 | — | — | |
| SCHEMBL812113 | 0.73 | — | — | |
| SCHEMBL14641376 | 0.73 | — | — | |
| SCHEMBL11219538 | 0.73 | — | — | |
| SCHEMBL18699302 | 0.71 | — | — | |
| SCHEMBL18607602 | 0.67 | — | — | |
| SCHEMBL19296416 | 0.67 | — | — | |
| SCHEMBL76786 | 0.67 | — | — | |
| SCHEMBL20776345 | 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-2391714-B1 | METHODS FOR LIGATION AND USES THEREOF | WHITEHEAD INST BIOMEDICAL RES (US) | 2017-04-05 | — | — | EP | disclosed |