⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7177394 | 0.84 | — | — | |
| SCHEMBL7179802 | 0.83 | — | — | |
| SCHEMBL141357 | 0.81 | — | — | |
| SCHEMBL7174152 | 0.80 | ACHE (0.32) | — | |
| SCHEMBL139507 | 0.80 | PTGS2 (0.31) | — | |
| SCHEMBL140187 | 0.80 | — | — | |
| SCHEMBL136348 | 0.79 | PDCD1 (0.30) | — | |
| SCHEMBL7177361 | 0.79 | — | — | |
| SCHEMBL27929389 | 0.79 | CD274 (0.33) | — | |
| SCHEMBL5951556 | 0.79 | EDNRB (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066303-B1 | TRANSITION METAL COMPOUND CONTAINING CATIONIC GROUPS WHICH IS USED AS AN OLEFIN POLYMERIZATION CATALYST COMPONENT | BASELL POLYOLEFINE GMBH (DE) | 2003-09-10 | — | — | EP | claimed |