⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21057412 | 1.00 | — | — | |
| SCHEMBL21138385 | 0.84 | NAMPT (0.36) | — | |
| SCHEMBL12397956 | 0.79 | — | — | |
| SCHEMBL3185280 | 0.77 | — | — | |
| SCHEMBL12397951 | 0.77 | — | — | |
| SCHEMBL13531898 | 0.74 | APP (0.31) | — | |
| SCHEMBL12397933 | 0.73 | RECQL (0.31) | — | |
| SCHEMBL21057359 | 0.70 | BTK (0.33) | — | |
| SCHEMBL21057361 | 0.70 | BTK (0.33) | — | |
| SCHEMBL21082031 | 0.70 | BTK (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190185479-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2019-06-20 | — | — | US | disclosed |