⚠ 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 | |
|---|---|---|---|---|
| Butyrolactone SCHEMBL1271043 | 0.94 | CA1 (0.82) | — | |
| SCHEMBL19638361 | 0.94 | CA1 (0.82) | — | |
| Butyrolactone SCHEMBL13481 | 0.94 | — | — | |
| Butyrolactone SCHEMBL29433925 | 0.94 | — | — | |
| Butyrolactone SCHEMBL9421121 | 0.94 | — | — | |
| Butyrolactone SCHEMBL27720055 | 0.94 | CA1 (0.82) | — | |
| Ethylene SCHEMBL3087966 | 0.92 | CA1 (0.89) | — | |
| Butyrolactone SCHEMBL5387579 | 0.91 | — | — | |
| Butyrolactone SCHEMBL932283 | 0.91 | — | — | |
| Butyrolactone SCHEMBL8194800 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1866998-A2 | SECONDARY ELECTROCHEMICAL CELL | VALENCE TECHNOLOGY, INC. (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006105253-A2 | SECONDARY ELECTROCHEMICAL CELL | VALENCE TECHNOLOGY, INC. (US) | 2006-10-05 | — | — | WO | disclosed |