⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9921963 | 0.70 | — | — | |
| SCHEMBL23219782 | 0.68 | — | — | |
| SCHEMBL26465596 | 0.68 | — | — | |
| SCHEMBL12133391 | 0.67 | CETP (0.30) | — | |
| SCHEMBL12133355 | 0.65 | — | — | |
| SCHEMBL23717876 | 0.64 | — | — | |
| SCHEMBL23367126 | 0.63 | — | — | |
| SCHEMBL28528515 | 0.63 | PTGIR (0.30) | — | |
| SCHEMBL12133389 | 0.62 | DPP4 (0.32) | — | |
| SCHEMBL12134518 | 0.62 | PTGER2 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2881384-B1 | PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAISHO PHARMACEUTICAL CO LTD (JP) | 2018-05-30 | — | — | EP | disclosed |