⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7582350 | 0.78 | — | — | |
| SCHEMBL20916749 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL29086591 | 0.78 | — | — | |
| SCHEMBL2048131 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL21632355 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL19294476 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL28967289 | 0.75 | — | — | |
| SCHEMBL20916750 | 0.73 | — | — | |
| SCHEMBL7576364 | 0.73 | — | — | |
| SCHEMBL10800641 | 0.73 | TSHR (0.35) | — |
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-3206781-B1 | HIGH STRENGTH MICROCAPSULES | PROCTER & GAMBLE (US) | 2020-07-15 | — | — | EP | disclosed |