⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18707515 | 0.88 | — | — | |
| SCHEMBL16543651 | 0.88 | — | — | |
| SCHEMBL8607210 | 0.87 | LY96 (0.34) | — | |
| SCHEMBL16543650 | 0.75 | — | — | |
| SCHEMBL18707478 | 0.75 | — | — | |
| SCHEMBL19805231 | 0.74 | — | — | |
| SCHEMBL15496697 | 0.74 | — | — | |
| SCHEMBL27104825 | 0.73 | LGALS8 (0.36) | — | |
| SCHEMBL8059872 | 0.72 | LGALS8 (0.34) | — | |
| SCHEMBL18233148 | 0.72 | — | — |
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-2012066092-A1 | COMPOUNDS FOR THE MODULATION OF AURORA KINASE A EXPRESSION | SANTARIS PHARMA A/S (DK) | 2012-05-24 | — | — | WO | disclosed |