⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL337863 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL27426289 | 0.80 | DGKA (0.38) | — | |
| SCHEMBL688569 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL929304 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL2789194 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL718866 | 0.75 | DGKA (0.42) | — | |
| SCHEMBL16429438 | 0.75 | DGKA (0.42) | — | |
| SCHEMBL27948314 | 0.75 | — | — | |
| SCHEMBL689240 | 0.75 | DGKA (0.42) | — | |
| SCHEMBL4158637 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| US-20040097555-A1 | Concomitant drugs | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-05-20 | — | — | US | disclosed |
| EP-1402900-A1 | MEDICINAL COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |
| EP-1354603-A1 | CONCOMITANT DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-22 | — | — | EP | disclosed |