⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27097 | 0.82 | — | — | |
| SCHEMBL1071382 | 0.82 | — | — | |
| SCHEMBL55258 | 0.76 | — | — | |
| SCHEMBL2940370 | 0.76 | — | — | |
| Benzene SCHEMBL28265482 | 0.75 | TRPA1 (0.46) | — | |
| Water SCHEMBL27925735 | 0.74 | — | — | |
| Ethylene SCHEMBL28256406 | 0.74 | — | — | |
| Charcoal, Activated SCHEMBL11494627 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL27545113 | 0.74 | — | — | |
| SCHEMBL27657735 | 0.74 | — | — |
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-104797426-A | Transfer film | TOPPAN PRINTING CO LTD | 2015-07-22 | — | — | CN | disclosed |