⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5618627 | 0.86 | TSHR (0.54) | — | |
| Hydrochloric Acid SCHEMBL11664118 | 0.85 | TSHR (0.52) | — | |
| SCHEMBL9888728 | 0.81 | — | — | |
| SCHEMBL10403219 | 0.79 | TSHR (0.82) | — | |
| SCHEMBL14241913 | 0.79 | MEN1 (0.56) | — | |
| SCHEMBL1709958 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL19865927 | 0.76 | — | — | |
| SCHEMBL3507970 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL8419253 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL14521484 | 0.76 | TSHR (0.45) | — |
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-7183276-B2 | Azole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-27 | — | — | US | disclosed |
| US-20050090534-A1 | Azole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-28 | — | — | US | disclosed |
| EP-1486490-A1 | AZOLE COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2004-12-15 | — | — | EP | disclosed |
| US-4426523-A | Preparation of 1-amino-1,3,5-triazine-2,4(1H, 3H)-diones | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-17 | — | — | US | disclosed |