⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11750495 | 0.77 | — | — | |
| SCHEMBL3777127 | 0.74 | — | — | |
| SCHEMBL8677748 | 0.74 | — | — | |
| SCHEMBL593802 | 0.72 | — | — | |
| SCHEMBL1858800 | 0.72 | — | — | |
| SCHEMBL1858797 | 0.72 | — | — | |
| SCHEMBL13788928 | 0.70 | — | — | |
| SCHEMBL10773900 | 0.70 | — | — | |
| Potassium Ion SCHEMBL9186355 | 0.70 | — | — | |
| SCHEMBL9188665 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028962-A1 | FUSED HETEROCYCLIC RING COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-02 | — | — | US | disclosed |
| EP-2399914-A1 | FUSED HETEROCYCLIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-12-28 | — | — | EP | disclosed |
| US-4228289-A | POSTEMERGENCE HERBICIDES | OLIN CORPORATION (US) | 1980-10-14 | — | — | US | disclosed |
| US-4207089-A | Thiolcarbamate derivatives of 3-trihalomethyl-1,2,4-thiadiazoles and their use as herbicides | OLIN CORPORATION (US) | 1980-06-10 | — | — | US | disclosed |
| US-3975538-A | O-ALKOXYCARBONYL-2-ALKOXY-1-NAPHTHOHYDROXAMATES | TAKEDA CHEMICAL INDUSTRIES, INC. (JA) | 1976-08-17 | — | — | US | disclosed |