⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9197827 | 0.73 | — | — | |
| SCHEMBL1232190 | 0.69 | — | — | |
| SCHEMBL3084463 | 0.69 | — | — | |
| SCHEMBL6469375 | 0.63 | AHCY (0.31) | — | |
| SCHEMBL5960487 | 0.61 | MEN1 (0.30) | — | |
| SCHEMBL9199176 | 0.56 | PNP (0.40) | — | |
| SCHEMBL9400643 | 0.52 | — | — | |
| SCHEMBL23902886 | 0.48 | ADORA2A (0.33) | — | |
| SCHEMBL793392 | 0.48 | — | — | |
| SCHEMBL949405 | 0.45 | HSP90AA1 (0.43) | — |
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-1994001413-A1 | BORONATED COMPOUNDS | BORON BIOLOGICALS, INC. (US) | 1994-01-20 | — | — | WO | disclosed |