⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4185814 | 0.79 | ADRB2 (0.33) | — | |
| SCHEMBL16522928 | 0.78 | — | — | |
| SCHEMBL26676536 | 0.74 | DNM1 (0.32) | — | |
| SCHEMBL151806 | 0.73 | ADRB2 (0.43) | — | |
| SCHEMBL28354825 | 0.71 | — | — | |
| SCHEMBL2950261 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL11747677 | 0.69 | — | — | |
| SCHEMBL11408202 | 0.69 | ADRB2 (0.35) | — | |
| SCHEMBL854137 | 0.68 | ADRB2 (0.38) | — | |
| SCHEMBL27503718 | 0.68 | ADRB2 (0.38) | — |
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-117813077-A | Composition and method for producing the same | 西姆莱斯股份公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-116997316-A | Perfume mixture containing isochronic alcohol (Isocitronellol) | 西姆莱斯股份公司 | 2023-11-03 | — | — | CN | disclosed |