⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16499154 | 0.67 | — | — | |
| SCHEMBL16499472 | 0.67 | — | — | |
| SCHEMBL10816645 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL2262232 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL2265424 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL10816644 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL14346744 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL28635175 | 0.60 | — | — | |
| SCHEMBL24610414 | 0.59 | ALDH1A1 (0.50) | — | |
| SCHEMBL5437124 | 0.57 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115518065-A | Application of imidazole derivatives in preparation of antitumor pharmaceutical composition | 广西科技大学 | 2022-12-27 | — | — | CN | claimed |
| CN-115475158-A | Application of naphthacenitrile derivative in preparation of antitumor pharmaceutical composition | 广西科技大学 | 2022-12-16 | — | — | CN | claimed |
| CN-115475158-A | Application of naphthacenitrile derivative in preparation of antitumor pharmaceutical composition | 广西科技大学 | 2022-12-16 | — | — | CN | disclosed |