⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL796996 | 0.83 | BCHE (0.32) | — | |
| SCHEMBL7603401 | 0.77 | — | — | |
| SCHEMBL7602677 | 0.75 | EDNRB (0.31) | — | |
| SCHEMBL796620 | 0.72 | BCHE (0.32) | — | |
| SCHEMBL7607516 | 0.71 | HTR2A (0.33) | — | |
| SCHEMBL7603008 | 0.70 | — | — | |
| SCHEMBL7603235 | 0.69 | — | — | |
| SCHEMBL17415067 | 0.68 | — | — | |
| SCHEMBL7599593 | 0.67 | GPR3 (0.31) | — | |
| SCHEMBL17415078 | 0.67 | MAPT (0.30) | — |
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 |