⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5223082 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22722891 | 0.94 | — | — | |
| SCHEMBL284529 | 0.90 | — | — | |
| SCHEMBL31241432 | 0.90 | MAOA (0.32) | — | |
| SCHEMBL2551242 | 0.90 | — | — | |
| SCHEMBL854230 | 0.88 | TSHR (0.31) | — | |
| SCHEMBL20987599 | 0.88 | TSHR (0.31) | — | |
| SCHEMBL19256248 | 0.88 | TSHR (0.31) | — | |
| SCHEMBL125515 | 0.88 | — | — | |
| SCHEMBL284568 | 0.88 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2450997-A1 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | Mitsubishi Chemical Corporation (JP) | 2012-05-09 | — | — | EP | disclosed |