⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5343687 | 0.83 | — | — | |
| SCHEMBL28946053 | 0.81 | — | — | |
| SCHEMBL28946035 | 0.81 | — | — | |
| SCHEMBL28945998 | 0.81 | — | — | |
| SCHEMBL27849643 | 0.81 | — | — | |
| SCHEMBL282709 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL18686708 | 0.71 | — | — | |
| SCHEMBL28448381 | 0.70 | CYP3A4 (0.37) | — | |
| SCHEMBL3174248 | 0.70 | — | — | |
| SCHEMBL28541932 | 0.69 | CA1 (0.32) | — |
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-118616027-A | Functionalized adsorbent and method for preparing same | 新特能源股份有限公司 | 2024-09-10 | — | — | CN | claimed |
| CN-118616027-A | Functionalized adsorbent and method for preparing same | 新特能源股份有限公司 | 2024-09-10 | — | — | CN | disclosed |