⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1071020 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL4286075 | 0.79 | KMT2A (0.32) | — | |
| SCHEMBL4287066 | 0.79 | — | — | |
| Bicarbonate SCHEMBL8152425 | 0.79 | TSHR (0.34) | — | |
| Benzene SCHEMBL9744613 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL15053822 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL8727210 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL15308 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL748244 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL1628670 | 0.77 | MTNR1A (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1643571-B9 | Anode active material and battery using it | SONY CORP (JP) | 2009-11-25 | — | — | EP | disclosed |
| EP-1643571-B1 | Anode active material and battery using it | SONY CORP (JP) | 2009-07-01 | — | — | EP | disclosed |
| US-7229717-B2 | Tri-component active material including Sn; B, C, Al, or P; and Si, Mg, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Zr, Nb, Mo, Ag, In, Ce, Hf, Ta, W, or Bi; halogenated ethylene or propylene carbonate electrolyte solvent; high capacity and superior cycle characteristics | SONY CORPORATION (JP) | 2007-06-12 | — | — | US | disclosed |
| EP-1643571-A1 | Anode active material and battery using it | Sony Corporation (JP) | 2006-04-05 | — | — | EP | disclosed |
| US-20060068285-A1 | Anode active material and battery using it | SONY CORPORATION (JP) | 2006-03-30 | — | — | US | disclosed |