⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9019356 | 0.65 | — | — | |
| SCHEMBL28269088 | 0.62 | — | — | |
| SCHEMBL60531 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL1870233 | 0.61 | TDP1 (0.35) | — | |
| SCHEMBL10584368 | 0.61 | TDP1 (0.35) | — | |
| SCHEMBL11057155 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL10957696 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL13074958 | 0.58 | — | — | |
| SCHEMBL11227273 | 0.56 | TSHR (0.30) | — | |
| SCHEMBL19338132 | 0.56 | TSHR (0.31) | — |
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-3674288-A1 | PANTOTHENAMIDE ANALOGUES | MMV Medicines for Malaria Venture (CH) | 2020-07-01 | — | — | EP | disclosed |