⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134944 | 0.82 | — | — | |
| SCHEMBL134945 | 0.82 | — | — | |
| SCHEMBL1305995 | 0.76 | — | — | |
| SCHEMBL1305996 | 0.76 | — | — | |
| SCHEMBL6142645 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL6142647 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL10535314 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL10949001 | 0.74 | — | — | |
| SCHEMBL10949004 | 0.74 | — | — | |
| SCHEMBL19346351 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040033889-A1 | Yttrium-based ethylene polymerization catalysts with bulky amidinate ancillary ligands | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-02-19 | — | — | US | disclosed |