⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12381014 | 0.76 | — | — | |
| SCHEMBL1181554 | 0.71 | — | — | |
| SCHEMBL9360434 | 0.70 | — | — | |
| SCHEMBL9356408 | 0.67 | — | — | |
| SCHEMBL9360428 | 0.67 | — | — | |
| SCHEMBL9360454 | 0.65 | — | — | |
| SCHEMBL2229362 | 0.62 | — | — | |
| SCHEMBL12381040 | 0.59 | — | — | |
| SCHEMBL12381016 | 0.59 | — | — | |
| SCHEMBL21315182 | 0.51 | — | — |
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 |