⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2375897 | 0.78 | — | — | |
| SCHEMBL11406879 | 0.69 | — | — | |
| SCHEMBL8495577 | 0.67 | — | — | |
| SCHEMBL8394558 | 0.67 | — | — | |
| SCHEMBL1515369 | 0.67 | — | — | |
| SCHEMBL9004479 | 0.67 | — | — | |
| SCHEMBL16992888 | 0.67 | — | — | |
| SCHEMBL19307242 | 0.65 | — | — | |
| SCHEMBL243489 | 0.65 | — | — | |
| SCHEMBL25500 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7202040-B2 | Method for screening compounds which change the binding properties of a protein with a ligand | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-04-10 | — | — | US | disclosed |
| US-20050154190-A1 | Screening method | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-14 | — | — | US | disclosed |
| EP-1455186-A1 | SCREENING METHOD | Takeda Chemical Industries, Ltd. (JP) | 2004-09-08 | — | — | EP | disclosed |