⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3070099 | 1.00 | — | — | |
| SCHEMBL24454734 | 0.90 | MIF (0.37) | — | |
| SCHEMBL25977477 | 0.90 | MIF (0.37) | — | |
| SCHEMBL24454457 | 0.90 | MIF (0.37) | — | |
| SCHEMBL24454692 | 0.88 | MIF (0.36) | — | |
| SCHEMBL9724891 | 0.86 | MIF (0.37) | — | |
| SCHEMBL8436542 | 0.84 | CHRM2 (0.43) | — | |
| SCHEMBL8065510 | 0.84 | CHRM2 (0.43) | — | |
| SCHEMBL321971 | 0.82 | — | — | |
| SCHEMBL10350979 | 0.80 | ALDH1A1 (0.38) | — |
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-113387841-A | Synthetic method of shakubiqu intermediate | 凯特立斯（深圳）科技有限公司 | 2021-09-14 | — | — | CN | disclosed |