⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5352543 | 0.88 | — | — | |
| SCHEMBL5067415 | 0.86 | PDCD1 (0.31) | — | |
| SCHEMBL7599210 | 0.83 | — | — | |
| SCHEMBL7600798 | 0.83 | — | — | |
| SCHEMBL797101 | 0.82 | PSMB5 (0.31) | — | |
| SCHEMBL7603015 | 0.78 | BRD4 (0.30) | — | |
| SCHEMBL7603373 | 0.78 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7942529 | 0.78 | — | — | |
| SCHEMBL6065652 | 0.77 | EDNRB (0.32) | — | |
| SCHEMBL5345743 | 0.76 | HTR1A (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 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 |