⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7637147 | 0.75 | — | — | |
| SCHEMBL30740337 | 0.72 | TP53 (0.33) | — | |
| SCHEMBL19442747 | 0.72 | — | — | |
| SCHEMBL6544962 | 0.72 | — | — | |
| SCHEMBL14050103 | 0.68 | CHRM5 (0.36) | — | |
| SCHEMBL16308846 | 0.67 | CA1 (0.46) | — | |
| SCHEMBL13515396 | 0.66 | — | — | |
| SCHEMBL5936338 | 0.66 | — | — | |
| SCHEMBL5936327 | 0.66 | — | — | |
| SCHEMBL576309 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001112431-A | FLAVOR ENHANCER FOR FERMENTED FOOD AND DRINK | T HASEGAWA CO LTD | 2001-04-24 | — | — | JP | disclosed |