⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2289930 | 0.95 | — | — | |
| Propane SCHEMBL9435607 | 0.92 | — | — | |
| SCHEMBL6426114 | 0.85 | LMNA (0.36) | — | |
| SCHEMBL11290100 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL6413080 | 0.77 | — | — | |
| SCHEMBL11869961 | 0.75 | — | — | |
| SCHEMBL15239176 | 0.75 | — | — | |
| SCHEMBL11072404 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL10786062 | 0.74 | — | — | |
| SCHEMBL11069835 | 0.72 | — | — |
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-6204091-A | — | — | None | — | — | JP | disclosed |
| JP-H06204091-A | ELECTROLYTE FOR ELECTROLYTIC CAPACITOR | HITACHI AIC INC | 1994-07-22 | — | — | JP | disclosed |