⚠ 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL7939593 | 0.79 | CA2 (0.53) | — | |
| SCHEMBL8699486 | 0.77 | — | — | |
| Ethylene SCHEMBL4576185 | 0.75 | — | — | |
| Ethylene SCHEMBL6917864 | 0.75 | — | — | |
| SCHEMBL4576526 | 0.75 | — | — | |
| Iodide SCHEMBL8155726 | 0.75 | — | — | |
| Bromide SCHEMBL6907556 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL138984 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL7642263 | 0.75 | — | — | |
| SCHEMBL8558782 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0848015-A1 | Catalyst for the production of functionalized polymers | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |