⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7599008 | 0.85 | HTR7 (0.30) | — | |
| SCHEMBL7598863 | 0.84 | CHRNB2 (0.30) | — | |
| SCHEMBL797637 | 0.83 | — | — | |
| SCHEMBL7596528 | 0.80 | HTR7 (0.31) | — | |
| SCHEMBL7643356 | 0.78 | BRD4 (0.31) | — | |
| SCHEMBL7638707 | 0.78 | BRD4 (0.31) | — | |
| Ethane SCHEMBL8628716 | 0.78 | PDCD1 (0.32) | — | |
| Propane SCHEMBL8630706 | 0.78 | PDCD1 (0.32) | — | |
| SCHEMBL7598788 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3690929 | 0.75 | — | — |
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 |