⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7969197 | 0.79 | — | — | |
| Bromide SCHEMBL7969935 | 0.77 | KDM4E (0.62) | — | |
| SCHEMBL21456850 | 0.76 | KDM4E (0.66) | — | |
| SCHEMBL21490429 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL6781789 | 0.74 | KDM4E (0.53) | — | |
| SCHEMBL18609645 | 0.74 | KDM4E (0.53) | — | |
| SCHEMBL8085263 | 0.74 | LMNA (0.61) | — | |
| Bromide SCHEMBL6981181 | 0.73 | LMNA (0.59) | — | |
| Fluoride Ion SCHEMBL2453932 | 0.73 | LMNA (0.59) | — | |
| SCHEMBL18725323 | 0.73 | KDM4E (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007136375-A2 | PACKAGE ASSEMBLY FOR MULTI-MODALITY TASTE CHEWING GUM COMPOSITIONS | CADBURY ADAMS USA LLC (US) | 2007-11-29 | — | — | WO | disclosed |