⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31207553 | 0.85 | — | — | |
| SCHEMBL2395584 | 0.81 | HTT (0.32) | — | |
| SCHEMBL3120004 | 0.80 | HTT (0.38) | — | |
| SCHEMBL2476646 | 0.80 | — | — | |
| SCHEMBL1701221 | 0.79 | HTT (0.41) | — | |
| Hydrochloric Acid SCHEMBL4231892 | 0.74 | — | — | |
| SCHEMBL17004512 | 0.74 | — | — | |
| Iodide SCHEMBL5538012 | 0.74 | — | — | |
| SCHEMBL329178 | 0.72 | HTT (0.35) | — | |
| Bromide SCHEMBL3433199 | 0.72 | CA1 (0.30) | — |
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-113461938-B | Carbon dioxide-based ionic polyurea and preparation method and application thereof | 东华大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-113461938-A | Carbon dioxide-based ionic polyurea and preparation method and application thereof | 东华大学 | 2021-10-01 | — | — | CN | disclosed |