⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9118573 | 0.81 | — | — | |
| SCHEMBL9491341 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL28227138 | 0.79 | — | — | |
| SCHEMBL27603298 | 0.78 | — | — | |
| SCHEMBL547380 | 0.75 | TRPA1 (0.33) | — | |
| SCHEMBL28959065 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL161567 | 0.74 | — | — | |
| SCHEMBL7523581 | 0.73 | KDM1A (0.36) | — | |
| SCHEMBL28002785 | 0.70 | — | — | |
| SCHEMBL9422223 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116916880-A | Cosmetic product | 株式会社资生堂 | 2023-10-20 | — | — | CN | disclosed |
| CN-116916879-A | Cosmetic product | 株式会社资生堂 | 2023-10-20 | — | — | CN | disclosed |