⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4453202 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL4453205 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL10425738 | 0.76 | — | — | |
| SCHEMBL10425737 | 0.76 | — | — | |
| SCHEMBL10425736 | 0.76 | — | — | |
| SCHEMBL15344654 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL15344653 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL21921120 | 0.72 | — | — | |
| SCHEMBL16680847 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL4453195 | 0.72 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| WO-2011120508-A1 | CATALYSTS FOR ALKYNE METATHESIS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2011-10-06 | — | — | WO | disclosed |