⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8810361 | 0.93 | — | — | |
| SCHEMBL31186806 | 0.86 | — | — | |
| SCHEMBL31186808 | 0.86 | — | — | |
| SCHEMBL29149709 | 0.86 | CA1 (0.30) | — | |
| SCHEMBL10535377 | 0.86 | — | — | |
| SCHEMBL11835458 | 0.86 | — | — | |
| SCHEMBL1121583 | 0.86 | — | — | |
| SCHEMBL21484072 | 0.86 | — | — | |
| SCHEMBL330 | 0.86 | — | — | |
| SCHEMBL1370457 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118666875-A | Method for preparing cyanoborohydrogen pyridine metal complex | 南京工业大学 | 2024-09-20 | — | — | CN | disclosed |