⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL354147 | 0.81 | — | — | |
| SCHEMBL354148 | 0.79 | HTR2C (0.31) | — | |
| SCHEMBL22043201 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL359300 | 0.74 | — | — | |
| SCHEMBL12032236 | 0.74 | PIK3CD (0.32) | — | |
| SCHEMBL5818140 | 0.71 | — | — | |
| SCHEMBL2738451 | 0.71 | PIK3CD (0.34) | — | |
| SCHEMBL30442264 | 0.70 | PTGS1 (0.30) | — | |
| SCHEMBL14364783 | 0.70 | — | — | |
| SCHEMBL1439871 | 0.70 | — | — |
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-20090088492-A1 | INK COMPOSITION | FUJIFILM CORPORATION (JP) | 2009-04-02 | — | — | US | disclosed |