⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2156398 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL27719687 | 0.81 | TSHR (0.31) | — | |
| Phosphine SCHEMBL28031041 | 0.80 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL28060834 | 0.80 | ALDH1A1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL27991089 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL28106994 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL27976257 | 0.79 | — | — | |
| SCHEMBL28076030 | 0.79 | — | — | |
| Alcohol SCHEMBL28056034 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL28275235 | 0.76 | — | — |
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-105873674-B | Manufacture the method for double-walled micro-capsule, the micro-capsule prepared by this method and application thereof | 微胶囊科技公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-105873674-A | Process for manufacturing double-walled microcapsules, microcapsules prepared by this process and the use thereof | 微胶囊科技公司 | 2016-08-17 | — | — | CN | disclosed |