⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1696591 | 0.73 | — | — | |
| SCHEMBL71192 | 0.69 | — | — | |
| SCHEMBL15399990 | 0.69 | — | — | |
| SCHEMBL41167 | 0.67 | — | — | |
| SCHEMBL7043311 | 0.67 | — | — | |
| SCHEMBL30692021 | 0.65 | RNPEP (0.31) | — | |
| SCHEMBL2639255 | 0.65 | — | — | |
| SCHEMBL3083310 | 0.65 | — | — | |
| SCHEMBL405948 | 0.63 | — | — | |
| SCHEMBL9070483 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1910264-B1 | AROMA COMPOSITION AND METHOD | MARS INC (US) | 2012-04-25 | — | — | EP | claimed |