⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25340095 | 0.79 | — | — | |
| SCHEMBL10298257 | 0.79 | — | — | |
| SCHEMBL14282889 | 0.77 | — | — | |
| SCHEMBL14701220 | 0.74 | — | — | |
| SCHEMBL11463705 | 0.70 | — | — | |
| SCHEMBL11463704 | 0.70 | — | — | |
| SCHEMBL12898630 | 0.69 | — | — | |
| SCHEMBL3143035 | 0.69 | — | — | |
| SCHEMBL12602888 | 0.69 | NPSR1 (0.61) | — | |
| SCHEMBL14599310 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |