⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28493769 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL9308288 | 0.97 | — | — | |
| SCHEMBL27564346 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL2633972 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL1165079 | 0.91 | — | — | |
| SCHEMBL59739 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL10756411 | 0.80 | — | — | |
| SCHEMBL28061363 | 0.78 | TSHR (0.52) | — | |
| SCHEMBL25177176 | 0.78 | TSHR (0.58) | — | |
| SCHEMBL25171009 | 0.78 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109134716-B | Vanadium catalyst and method for preparing olefin polymer | 北京引发科技有限公司 | 2020-11-10 | — | — | CN | disclosed |
| US-6686394-B1 | POTENT ANTINEOPLASTIC ACTIVITY WITHOUT SYSTEMIC TOXICITY OR MUTAGENICITY | SOVAR, SOCIETE EN COMMANDITE (CA) | 2004-02-03 | — | — | US | disclosed |