⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37730 | 0.87 | CA2 (0.37) | — | |
| SCHEMBL31375314 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL27540621 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL30865709 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL27810105 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL28849301 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL9691607 | 0.77 | — | — | |
| SCHEMBL4863896 | 0.75 | CA2 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL15210078 | 0.73 | CA2 (0.33) | — | |
| SCHEMBL9692317 | 0.72 | TSHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113768925-A | Preparation method of K252c derivative and application of K252c derivative in preparation of anti-tumor metastasis drugs | 浙江大学 | 2021-12-10 | — | — | CN | claimed |
| CN-113768925-A | Preparation method of K252c derivative and application of K252c derivative in preparation of anti-tumor metastasis drugs | 浙江大学 | 2021-12-10 | — | — | CN | disclosed |