⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL817784 | 0.83 | — | — | |
| Fluoride Ion SCHEMBL1131681 | 0.83 | — | — | |
| SCHEMBL8561371 | 0.76 | LMNA (0.35) | — | |
| SCHEMBL8562087 | 0.76 | — | — | |
| SCHEMBL8561094 | 0.76 | — | — | |
| SCHEMBL8559883 | 0.71 | — | — | |
| SCHEMBL8562139 | 0.69 | — | — | |
| SCHEMBL8558535 | 0.68 | — | — | |
| SCHEMBL8558019 | 0.68 | — | — | |
| SCHEMBL8556220 | 0.67 | CA2 (0.32) | — |
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-0848015-A1 | Catalyst for the production of functionalized polymers | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |