⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3815138 | 0.89 | BACE1 (0.32) | — | |
| SCHEMBL3589903 | 0.81 | — | — | |
| SCHEMBL3589901 | 0.81 | — | — | |
| SCHEMBL9913422 | 0.81 | — | — | |
| SCHEMBL5166898 | 0.75 | — | — | |
| SCHEMBL6721282 | 0.75 | — | — | |
| SCHEMBL7576376 | 0.74 | — | — | |
| SCHEMBL22207074 | 0.74 | — | — | |
| SCHEMBL8854569 | 0.74 | — | — | |
| SCHEMBL26918557 | 0.74 | — | — |
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-111183136-B | Amber odorant | 弗门尼舍有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-104098452-B | ω-halogen-2-alkynes aldehyde, produce its method and use it to produce the method for Z-chain Ene alkynyl base acetic acid esters of conjugation | SHIN-ETSU CHEMICAL INDUSTRY CO., LTD. (JP) | 2016-05-11 | — | — | CN | disclosed |