⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9360252 | 0.90 | — | — | |
| SCHEMBL34886 | 0.79 | — | — | |
| SCHEMBL12757222 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL2857671 | 0.75 | — | — | |
| Iodide SCHEMBL597934 | 0.75 | — | — | |
| Bromide SCHEMBL1697180 | 0.75 | — | — | |
| SCHEMBL16566642 | 0.75 | KDM4E (0.33) | — | |
| Fluoride Ion SCHEMBL1996392 | 0.75 | — | — | |
| SCHEMBL8504637 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL9752211 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0625928-A1 | CO-ORDINATION CATALYST SYSTEM | MERCK PATENT GmbH (DE) | 1994-11-30 | — | — | EP | disclosed |
| WO-1994012278-A1 | CO-ORDINATION CATALYST SYSTEM | MERCK PATENT GMBH (DE) | 1994-06-09 | — | — | WO | disclosed |