⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL97522 | 0.89 | — | — | |
| Water SCHEMBL29797427 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28367391 | 0.80 | — | — | |
| Cesium SCHEMBL30708013 | 0.80 | — | — | |
| SCHEMBL31556356 | 0.80 | — | — | |
| Water SCHEMBL29367115 | 0.80 | — | — | |
| SCHEMBL28443823 | 0.80 | — | — | |
| Water SCHEMBL720910 | 0.80 | — | — | |
| SCHEMBL11857506 | 0.80 | — | — | |
| SCHEMBL28667056 | 0.80 | — | — |
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-113720879-B | Preparation method and application of acetone gas-sensitive material and acetone gas sensor | 华南师范大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-113720879-A | Acetone gas sensitive material, preparation method of acetone gas sensor and application of acetone gas sensor | 华南师范大学 | 2021-11-30 | — | — | CN | disclosed |