⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16377125 | 1.00 | — | — | |
| SCHEMBL11757369 | 1.00 | — | — | |
| SCHEMBL23501752 | 0.89 | — | — | |
| SCHEMBL19077805 | 0.89 | — | — | |
| SCHEMBL12499968 | 0.89 | — | — | |
| SCHEMBL20208292 | 0.86 | MEN1 (0.31) | — | |
| SCHEMBL2759295 | 0.86 | MEN1 (0.31) | — | |
| SCHEMBL15095428 | 0.86 | MEN1 (0.31) | — | |
| SCHEMBL16640686 | 0.84 | — | — | |
| SCHEMBL16421242 | 0.84 | — | — |
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-20140154446-A1 | Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties | THE COCA-COLA COMPANY (US) | 2014-06-05 | — | — | US | disclosed |