⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17418141 | 0.83 | THRB (0.31) | — | |
| SCHEMBL29761932 | 0.79 | HPGD (0.32) | — | |
| SCHEMBL3679767 | 0.79 | — | — | |
| SCHEMBL3380159 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL705361 | 0.74 | CA12 (0.30) | — | |
| SCHEMBL704759 | 0.72 | TDP1 (0.32) | — | |
| SCHEMBL4425572 | 0.72 | CA1 (0.33) | — | |
| SCHEMBL28808552 | 0.72 | AOC3 (0.36) | — | |
| SCHEMBL703183 | 0.71 | — | — | |
| SCHEMBL705367 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022138896-A1 | ALL SOLID STATE BATTERY BINDER USING CONJUGATED DIENE-BASED POLYMER, POSITIVE ELECTRODE LAYER, NEGATIVE ELECTRODE LAYER, AND ELECTROLYTE LAYER USING SAID BINDER, AND ALL SOLID STATE BATTERY INCLUDING SAID BINDER AND SAID LAYERS | 旭化成株式会社 | 2022-06-30 | — | — | WO | disclosed |