⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11580386 | 0.80 | — | — | |
| SCHEMBL24069106 | 0.77 | — | — | |
| SCHEMBL13694987 | 0.75 | — | — | |
| SCHEMBL25582499 | 0.73 | — | — | |
| SCHEMBL135426 | 0.72 | — | — | |
| SCHEMBL15129905 | 0.70 | — | — | |
| SCHEMBL12332466 | 0.69 | — | — | |
| SCHEMBL24521734 | 0.69 | — | — | |
| SCHEMBL24465008 | 0.69 | — | — | |
| SCHEMBL181798 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114746503-B | Self-sealing composition for inflatable articles | 米其林集团总公司 | 2024-02-02 | — | — | CN | disclosed |