⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1363635 | 0.79 | — | — | |
| SCHEMBL12124916 | 0.78 | — | — | |
| SCHEMBL12653916 | 0.78 | — | — | |
| SCHEMBL13434449 | 0.74 | — | — | |
| SCHEMBL310794 | 0.73 | — | — | |
| SCHEMBL27967363 | 0.72 | FFAR3 (0.33) | — | |
| SCHEMBL21026102 | 0.72 | — | — | |
| SCHEMBL6932758 | 0.71 | — | — | |
| SCHEMBL18901292 | 0.71 | — | — | |
| SCHEMBL6717923 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023186842-A1 | SYNTHESIS OF ISOMERICALLY PURE POLYOL-BASED PHOSPHORAMIDITES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-10-05 | — | — | WO | disclosed |
| US-20100112619-A1 | LIGAND-CONTAINING MICELLES AND USES THEREOF | GRAHAM RONALD J | 2010-05-06 | — | — | US | disclosed |