⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28569232 | 0.79 | — | — | |
| SCHEMBL14740764 | 0.75 | — | — | |
| Water SCHEMBL9825001 | 0.74 | TRPA1 (0.31) | — | |
| SCHEMBL2986834 | 0.74 | — | — | |
| SCHEMBL20264461 | 0.72 | — | — | |
| SCHEMBL27186007 | 0.71 | TRPA1 (0.32) | — | |
| SCHEMBL231277 | 0.71 | — | — | |
| SCHEMBL332238 | 0.71 | — | — | |
| SCHEMBL220893 | 0.69 | — | — | |
| SCHEMBL1985836 | 0.69 | — | — |
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-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 |
| US-5110975-A | ISOCYANATOALKYL SULPHONATES AND A PROCESS FOR THEIR PREPARATION | BAYER AKTIENGESELLSCHAFT (DE) | 1992-05-05 | — | — | US | disclosed |