⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28428564 | 1.00 | TSHR (0.57) | — | |
| SCHEMBL28424921 | 1.00 | TSHR (0.57) | — | |
| SCHEMBL28424929 | 1.00 | TSHR (0.57) | — | |
| 1,6-Hexanediol SCHEMBL28292671 | 1.00 | — | — | |
| SCHEMBL28419398 | 1.00 | TSHR (0.57) | — | |
| SCHEMBL25302278 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL21462773 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL933466 | 0.94 | TSHR (0.61) | — | |
| 1,4-Butanediol SCHEMBL21630075 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL21879690 | 0.94 | TSHR (0.61) | — |
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-109761750-B | Ester exchange catalyst with biological activity, synthetic method thereof and application thereof in preparation of degradable polyester | 浙江大学 | 2020-06-23 | — | — | CN | disclosed |