⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29001086 | 0.79 | — | — | |
| SCHEMBL608168 | 0.78 | RORC (0.31) | — | |
| SCHEMBL28816601 | 0.78 | RORC (0.31) | — | |
| SCHEMBL260334 | 0.74 | DRD1 (0.30) | — | |
| SCHEMBL9532661 | 0.71 | — | — | |
| SCHEMBL7482415 | 0.71 | — | — | |
| SCHEMBL80520 | 0.70 | KIF11 (0.31) | — | |
| SCHEMBL1005299 | 0.70 | — | — | |
| SCHEMBL1007035 | 0.70 | — | — | |
| SCHEMBL130062 | 0.70 | KMT2A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105228974-A | Ethylene oligomerization becomes the oligomerization process of the mixture of 1-hexene and 1-octene | SASOL TECH PTY LTD | 2016-01-06 | — | — | CN | disclosed |