⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24432 | 0.93 | — | — | |
| SCHEMBL3688586 | 0.86 | — | — | |
| SCHEMBL9267393 | 0.86 | — | — | |
| Ethylene SCHEMBL1013493 | 0.86 | — | — | |
| Charcoal, Activated SCHEMBL2058858 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2496503 | 0.86 | — | — | |
| SCHEMBL10783431 | 0.86 | — | — | |
| SCHEMBL2542980 | 0.86 | — | — | |
| SCHEMBL2062844 | 0.86 | — | — | |
| Ethylene SCHEMBL22609094 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305495-B1 | METHOD FOR GENERATING A THREE-DIMENSIONAL STRUCTURE IN A MATRIX | KARLSRUHER INST TECHNOLOGIE (DE) | 2023-05-03 | — | — | EP | disclosed |