⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL209053 | 0.91 | TSHR (0.33) | — | |
| SCHEMBL208989 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL22462276 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL28087561 | 0.71 | — | — | |
| SCHEMBL28087520 | 0.69 | — | — | |
| SCHEMBL28418056 | 0.69 | — | — | |
| SCHEMBL7057621 | 0.61 | TSHR (0.41) | — | |
| SCHEMBL29274510 | 0.60 | — | — | |
| SCHEMBL30965228 | 0.59 | TSHR (0.33) | — | |
| SCHEMBL7811816 | 0.58 | — | — |
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-105801755-A | Modified polyolefins, methods of forming the same, and blends thereof | 财团法人工业技术研究院 | 2016-07-27 | — | — | CN | disclosed |