⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18032669 | 0.58 | — | — | |
| SCHEMBL1755656 | 0.58 | ITGB2 (0.33) | — | |
| SCHEMBL6306453 | 0.53 | — | — | |
| SCHEMBL245729 | 0.51 | — | — | |
| SCHEMBL7946945 | 0.51 | — | — | |
| SCHEMBL27382541 | 0.49 | ITGB2 (0.53) | — | |
| SCHEMBL3289443 | 0.49 | ITGB2 (0.44) | — | |
| SCHEMBL5198695 | 0.47 | CA1 (0.58) | — | |
| SCHEMBL7042020 | 0.47 | CA1 (0.58) | — | |
| SCHEMBL6738735 | 0.47 | CA1 (0.58) | — |
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-109346337-B | Preparation method of composite electrode material | 南通南京大学材料工程技术研究院 | 2020-06-09 | — | — | CN | disclosed |