⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20609662 | 0.79 | — | — | |
| SCHEMBL765572 | 0.78 | — | — | |
| SCHEMBL9066013 | 0.78 | — | — | |
| SCHEMBL62022 | 0.78 | — | — | |
| SCHEMBL8222489 | 0.77 | — | — | |
| SCHEMBL27395574 | 0.77 | — | — | |
| SCHEMBL6769501 | 0.75 | — | — | |
| SCHEMBL14399757 | 0.74 | — | — | |
| SCHEMBL8381038 | 0.72 | — | — | |
| SCHEMBL8380508 | 0.72 | — | — |
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-105264057-B | Spice composition | 花王株式会社 | 2019-04-05 | — | — | CN | disclosed |
| CN-104003904-B | 4,8-dimethyl-4,9-decadienenitrile | 花王株式会社 | 2017-04-19 | — | — | CN | disclosed |