⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1901885 | 0.98 | — | — | |
| SCHEMBL9056377 | 0.92 | — | — | |
| SCHEMBL15338398 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL2400209 | 0.82 | — | — | |
| SCHEMBL1893137 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL98083 | 0.80 | — | — | |
| SCHEMBL23622999 | 0.78 | — | — | |
| SCHEMBL16191041 | 0.78 | — | — | |
| SCHEMBL31412817 | 0.78 | ANPEP (0.31) | — | |
| SCHEMBL17629899 | 0.78 | ANPEP (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110217257-A1 | NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2011-09-08 | — | — | US | disclosed |