⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22821849 | 0.73 | — | — | |
| SCHEMBL28309757 | 0.72 | CETP (0.32) | — | |
| SCHEMBL1470730 | 0.71 | — | — | |
| SCHEMBL3952271 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL668613 | 0.68 | — | — | |
| SCHEMBL1986223 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL14530891 | 0.68 | — | — | |
| SCHEMBL12203387 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL12354632 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL9303165 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10027601-A | — | — | None | — | — | JP | disclosed |
| JP-H1027601-A | NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | SANYO ELECTRIC CO LTD | 1998-01-27 | — | — | JP | disclosed |