⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6286709 | 0.77 | — | — | |
| SCHEMBL5176469 | 0.76 | NPC1 (0.32) | — | |
| SCHEMBL4482860 | 0.76 | — | — | |
| SCHEMBL7949913 | 0.76 | — | — | |
| SCHEMBL1115923 | 0.76 | — | — | |
| SCHEMBL534384 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4482863 | 0.71 | — | — | |
| SCHEMBL4344846 | 0.70 | — | — | |
| SCHEMBL3998059 | 0.69 | — | — | |
| SCHEMBL7637317 | 0.69 | — | — |
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-1325926-B1 | Metallocenes | BASELL POLYOLEFINE GMBH (DE) | 2007-02-07 | — | — | EP | claimed |
| US-6153549-A | COORDINATION POLYMERIZATION CATALYSTS | TARGOR GMBH (DE) | 2000-11-28 | — | — | US | disclosed |