⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1227993 | 0.86 | LMNA (0.31) | — | |
| SCHEMBL1227310 | 0.81 | TSHR (0.40) | — | |
| Lithium Ion SCHEMBL2820152 | 0.80 | — | — | |
| SCHEMBL3194167 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL7995071 | 0.80 | — | — | |
| Dimethylamine SCHEMBL9763290 | 0.70 | — | — | |
| SCHEMBL10583492 | 0.70 | — | — | |
| SCHEMBL10583514 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2903586 | 0.68 | — | — | |
| Iodide SCHEMBL568698 | 0.68 | — | — |
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-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |