⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4209308 | 0.91 | BRD4 (0.30) | — | |
| SCHEMBL7200621 | 0.87 | BRD4 (0.31) | — | |
| SCHEMBL7188445 | 0.86 | EDNRB (0.32) | — | |
| SCHEMBL690559 | 0.84 | — | — | |
| SCHEMBL7057122 | 0.83 | — | — | |
| SCHEMBL5890904 | 0.83 | — | — | |
| SCHEMBL2234772 | 0.82 | BRD4 (0.32) | — | |
| SCHEMBL5584098 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2232423 | 0.81 | BRD4 (0.31) | — | |
| SCHEMBL11967721 | 0.81 | — | — |
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-2173778-B1 | CATALYST SYSTEM FOR POLYMERIZATION OF OLEFINIC MONOMERS, PROCESS FOR PREPARING POLYMERS AND POLYMERS PREPARED BY THE PROCESS | BASELL POLYOLEFINE GMBH (DE) | 2012-04-18 | — | — | EP | disclosed |