⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2378150 | 0.83 | — | — | |
| SCHEMBL2519661 | 0.81 | CYP11B1 (0.30) | — | |
| Ethane SCHEMBL8635284 | 0.80 | — | — | |
| SCHEMBL7602963 | 0.80 | — | — | |
| Propane SCHEMBL8628941 | 0.80 | — | — | |
| SCHEMBL7602769 | 0.79 | RET (0.31) | — | |
| SCHEMBL797923 | 0.78 | BCHE (0.34) | — | |
| Hexane SCHEMBL8633465 | 0.76 | TDP1 (0.31) | — | |
| Ethane SCHEMBL8636148 | 0.76 | — | — | |
| SCHEMBL5617393 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |