⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL797434 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8606434 | 0.82 | — | — | |
| SCHEMBL7600880 | 0.79 | — | — | |
| SCHEMBL8606441 | 0.70 | — | — | |
| SCHEMBL797436 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8606443 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL8604675 | 0.61 | — | — | |
| SCHEMBL28397230 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL1480697 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL27630927 | 0.60 | ALDH1A1 (0.38) | — |
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 |