⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295290 | 1.00 | — | — | |
| SCHEMBL11124655 | 1.00 | — | — | |
| SCHEMBL295289 | 1.00 | — | — | |
| SCHEMBL7357522 | 0.89 | PPARA (0.41) | — | |
| SCHEMBL11334990 | 0.85 | PPARA (0.42) | — | |
| SCHEMBL11334998 | 0.85 | PPARA (0.42) | — | |
| SCHEMBL11334979 | 0.85 | PPARA (0.42) | — | |
| SCHEMBL731194 | 0.84 | ALDH1A1 (0.43) | — | |
| SCHEMBL731193 | 0.84 | ALDH1A1 (0.43) | — | |
| SCHEMBL11180595 | 0.83 | TSHR (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110869348-B | Pyrrole compound, perfume composition, and cosmetic containing the same | 长谷川香料株式会社 | 2023-09-12 | — | — | CN | disclosed |
| CN-116098279-A | Matcha flavor imparting composition | 长谷川香料株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-116103086-A | Tea flavor imparting composition | 长谷川香料株式会社 | 2023-05-12 | — | — | CN | disclosed |