⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21462991 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL21462990 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL1352863 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL1352862 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL4024981 | 0.72 | — | — | |
| SCHEMBL1056886 | 0.72 | — | — | |
| SCHEMBL17811841 | 0.72 | — | — | |
| SCHEMBL1056887 | 0.72 | — | — | |
| SCHEMBL10789764 | 0.72 | — | — | |
| SCHEMBL10789771 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104003904-B | 4,8-dimethyl-4,9-decadienenitrile | 花王株式会社 | 2017-04-19 | — | — | CN | disclosed |
| US-9200237-B2 | 4,8-dimethyl-4,9-decadienenitrile | KAO CORPORATION (JP) | 2015-12-01 | — | — | US | disclosed |
| US-20140235519-A1 | 4,8-DIMETHYL-4,9-DECADIENENITRILE | KAO CORPORATION (JP) | 2014-08-21 | — | — | US | disclosed |