⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30857744 | 0.95 | CXCR2 (0.30) | — | |
| SCHEMBL31756346 | 0.88 | NPSR1 (0.30) | — | |
| SCHEMBL19839335 | 0.87 | — | — | |
| SCHEMBL1677588 | 0.84 | CXCR2 (0.30) | — | |
| SCHEMBL1528651 | 0.82 | PTPN1 (0.31) | — | |
| SCHEMBL31756622 | 0.82 | — | — | |
| SCHEMBL1864213 | 0.81 | MAPT (0.36) | — | |
| SCHEMBL502662 | 0.79 | SLC6A3 (0.37) | — | |
| SCHEMBL4548472 | 0.79 | SLC6A3 (0.39) | — | |
| SCHEMBL19839439 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013185202-A1 | APOPTOSIS INDUCERS | BETA PHARMA CANADA INC (CA) | 2013-12-19 | — | — | WO | disclosed |
| WO-2013185202-A1 | APOPTOSIS INDUCERS | BETA PHARMA CANADA INC (CA) | 2013-12-19 | — | — | WO | disclosed |