⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL628489 | 0.70 | — | — | |
| SCHEMBL9505042 | 0.67 | — | — | |
| SCHEMBL6946240 | 0.62 | — | — | |
| SCHEMBL3226239 | 0.62 | — | — | |
| SCHEMBL3944793 | 0.60 | — | — | |
| SCHEMBL661920 | 0.53 | — | — | |
| SCHEMBL23270618 | 0.50 | — | — | |
| SCHEMBL613886 | 0.50 | — | — | |
| SCHEMBL8795461 | 0.50 | — | — | |
| SCHEMBL9118841 | 0.50 | — | — |
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-6930104-B2 | Heterocyclic derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-16 | — | — | US | disclosed |
| US-20040157850-A1 | Novel heterocyclic derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1382598-A1 | NOVEL HETEROCYCLIC DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |