⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14740764 | 0.86 | — | — | |
| SCHEMBL9740594 | 0.79 | — | — | |
| SCHEMBL34776 | 0.74 | CHRM1 (0.31) | — | |
| SCHEMBL6184126 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL7977062 | 0.72 | — | — | |
| SCHEMBL9325200 | 0.72 | — | — | |
| SCHEMBL10757995 | 0.71 | — | — | |
| SCHEMBL3458581 | 0.70 | — | — | |
| SCHEMBL4659040 | 0.70 | TRPA1 (0.43) | — | |
| SCHEMBL2986834 | 0.70 | — | — |
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-108997504-B | Preparation method of ionic liquid functionalized cellulose carbamate material | 贵州大学 | 2021-05-07 | — | — | CN | claimed |
| CN-108997504-B | Preparation method of ionic liquid functionalized cellulose carbamate material | 贵州大学 | 2021-05-07 | — | — | CN | disclosed |