⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5022564 | 0.89 | TP53 (0.32) | — | |
| SCHEMBL5014550 | 0.84 | — | — | |
| SCHEMBL5013468 | 0.83 | EPHX2 (0.31) | — | |
| SCHEMBL5016871 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL5016883 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL5013463 | 0.73 | EPHX2 (0.36) | — | |
| SCHEMBL5014573 | 0.72 | — | — | |
| SCHEMBL5022835 | 0.72 | — | — | |
| SCHEMBL5013469 | 0.67 | — | — | |
| SCHEMBL5014854 | 0.67 | PTGS1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8241795-B2 | Electrolytic solutions and battery | SONY CORPORATION (JP) | 2012-08-14 | — | — | US | disclosed |
| US-20080138714-A1 | ELECTROLYTIC SOLUTIONS AND BATTERY | SONY CORPORATION (JP) | 2008-06-12 | — | — | US | disclosed |