⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078112 | 0.86 | CA1 (0.47) | — | |
| SCHEMBL3627661 | 0.81 | — | — | |
| SCHEMBL7085362 | 0.81 | — | — | |
| SCHEMBL5872362 | 0.80 | — | — | |
| SCHEMBL15259582 | 0.78 | HDAC7 (0.39) | — | |
| SCHEMBL9683902 | 0.78 | TAS1R3 (0.48) | — | |
| SCHEMBL23092019 | 0.76 | — | — | |
| SCHEMBL292612 | 0.76 | — | — | |
| SCHEMBL3958831 | 0.76 | — | — | |
| SCHEMBL867273 | 0.76 | — | — |
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-105622507-A | Naphthalimide derivative and preparing method and application thereof | UNIV HENAN | 2016-06-01 | — | — | CN | disclosed |