⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7598161 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8604669 | 0.79 | — | — | |
| SCHEMBL8604673 | 0.71 | — | — | |
| SCHEMBL27630927 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL797391 | 0.68 | — | — | |
| SCHEMBL1130954 | 0.67 | NPC1 (0.31) | — | |
| SCHEMBL5349954 | 0.67 | NPC1 (0.31) | — | |
| SCHEMBL31484326 | 0.66 | — | — | |
| SCHEMBL7125652 | 0.64 | — | — | |
| SCHEMBL30028170 | 0.64 | ALDH1A1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6410665-B1 | POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | claimed |
| US-6410665-B1 | POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | disclosed |
| US-6255531-B1 | POLYMERIZATION CATALYSTS | TARGOR GMBH (DE) | 2001-07-03 | — | — | US | disclosed |