⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1827817 | 0.97 | — | — | |
| SCHEMBL2918465 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL10619658 | 0.85 | — | — | |
| SCHEMBL10605585 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL10607107 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL10605603 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL10607059 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL10603691 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL16867583 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL4349953 | 0.85 | TSHR (0.47) | — |
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-104628951-B | A kind of anionic polymerisation structure regulator and a kind of anionic polymerisation process | 中国石油化工股份有限公司 | 2017-08-25 | — | — | CN | disclosed |