⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25854142 | 0.90 | — | — | |
| SCHEMBL77718 | 0.68 | IDO1 (0.39) | — | |
| SCHEMBL77264 | 0.59 | IDO1 (0.33) | — | |
| SCHEMBL12340091 | 0.55 | KDM4E (0.37) | — | |
| SCHEMBL11976535 | 0.55 | ALDH1A1 (0.42) | — | |
| SCHEMBL78377 | 0.53 | IDO1 (0.32) | — | |
| SCHEMBL77010 | 0.53 | IDO1 (0.35) | — | |
| SCHEMBL18520121 | 0.53 | — | — | |
| SCHEMBL11976534 | 0.51 | IDO1 (0.39) | — | |
| SCHEMBL77166 | 0.50 | LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230235103-A1 | SULFUR-MODIFIED POLYACRYLONITRILE, ELECTRODE ACTIVE MATERIAL CONTAINING SAME, ELECTRODE FOR SECONDARY BATTERY CONTAINING SAID ELECTRODE ACTIVE MATERIAL, METHOD OF MANUFACTURING SAID ELECTRODE, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAID ELECTRODE | ADEKA CORPORATION (JP) | 2023-07-27 | — | — | US | disclosed |