⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22249928 | 0.79 | — | — | |
| SCHEMBL611560 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL19436348 | 0.70 | — | — | |
| SCHEMBL21925439 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL20763939 | 0.67 | — | — | |
| SCHEMBL12459870 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL9788213 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL598937 | 0.66 | TSHR (0.40) | — | |
| SCHEMBL18584314 | 0.66 | TSHR (0.40) | — | |
| SCHEMBL18609114 | 0.66 | TSHR (0.40) | — |
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-2176296-B1 | ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE | GENENTECH INC (US) | 2012-02-01 | — | — | EP | disclosed |