⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28380174 | 0.82 | — | — | |
| SCHEMBL2122694 | 0.77 | — | — | |
| SCHEMBL516849 | 0.76 | — | — | |
| SCHEMBL20651876 | 0.76 | — | — | |
| SCHEMBL20651857 | 0.76 | — | — | |
| SCHEMBL1005721 | 0.76 | — | — | |
| SCHEMBL516848 | 0.76 | — | — | |
| SCHEMBL7294171 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL20637875 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL20637878 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0452392-A1 | HETEROCYCLIC CHELATING AGENTS. | NYCOMED AS (NO) | 1991-10-23 | — | — | EP | disclosed |