⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8588321 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL5990356 | 0.68 | — | — | |
| SCHEMBL5990361 | 0.68 | — | — | |
| SCHEMBL9647723 | 0.65 | — | — | |
| SCHEMBL19677094 | 0.65 | — | — | |
| SCHEMBL6599639 | 0.62 | TSHR (0.43) | — | |
| SCHEMBL266573 | 0.61 | KMT2A (0.47) | — | |
| SCHEMBL16887409 | 0.61 | PLA2G10 (0.40) | — | |
| SCHEMBL113923 | 0.61 | — | — | |
| SCHEMBL765342 | 0.59 | — | — |
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-1172432-B1 | PERFUME PRECURSOR COMPOSITIONS AND METHOD FOR EXPRESSING PERFUME COMPONENTS | AJINOMOTO KK (JP) | 2005-03-02 | — | — | EP | claimed |