⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL258140 | 0.96 | — | — | |
| Water SCHEMBL28211539 | 0.93 | — | — | |
| Alcohol SCHEMBL28106624 | 0.84 | TSHR (0.35) | — | |
| 1,3-Propanediol SCHEMBL28526444 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL11242057 | 0.74 | — | — | |
| SCHEMBL2948104 | 0.74 | — | — | |
| SCHEMBL28716952 | 0.74 | — | — | |
| SCHEMBL10357311 | 0.71 | — | — | |
| SCHEMBL11526574 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL3924123 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103509528-B | A kind of nuclear shell structure nano high-temperature heat-storage material, Preparation Method And The Use | INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) | 2015-09-30 | — | — | CN | disclosed |