⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1139842 | 0.84 | FFAR3 (0.35) | — | |
| SCHEMBL2166022 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL282564 | 0.73 | OPRL1 (0.32) | — | |
| SCHEMBL25408629 | 0.71 | — | — | |
| SCHEMBL6822810 | 0.69 | — | — | |
| SCHEMBL6822809 | 0.69 | — | — | |
| SCHEMBL24204205 | 0.68 | MT-CO2 (0.35) | — | |
| SCHEMBL17649527 | 0.67 | — | — | |
| SCHEMBL562057 | 0.67 | — | — | |
| SCHEMBL2311457 | 0.65 | FFAR3 (0.62) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2428508-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | Astellas Pharma Inc. (JP) | 2012-03-14 | — | — | EP | disclosed |
| US-20120040968-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | WATERS TECHNOLOGIES CORPORATION (US) | 2012-02-16 | — | — | US | disclosed |