⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4529228 | 0.82 | — | — | |
| SCHEMBL10607938 | 0.82 | — | — | |
| SCHEMBL20757031 | 0.75 | — | — | |
| SCHEMBL25900010 | 0.74 | — | — | |
| SCHEMBL20019500 | 0.73 | — | — | |
| SCHEMBL122 | 0.73 | — | — | |
| SCHEMBL120 | 0.73 | — | — | |
| Water SCHEMBL21518539 | 0.73 | — | — | |
| SCHEMBL5199999 | 0.73 | — | — | |
| SCHEMBL6562703 | 0.73 | — | — |
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-20230192928-A1 | POLYMER MATERIAL AND METHOD FOR PRODUCING SAME, GAS-ABSORBING MATERIAL, AND GAS RECOVERY DEVICE | JCCL,INC. (JP) | 2023-06-22 | — | — | US | disclosed |