⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20053950 | 0.65 | — | — | |
| SCHEMBL11355678 | 0.65 | — | — | |
| SCHEMBL16801946 | 0.64 | — | — | |
| SCHEMBL22694843 | 0.49 | — | — | |
| SCHEMBL821227 | 0.46 | — | — | |
| SCHEMBL4296685 | 0.44 | — | — | |
| SCHEMBL1819677 | 0.43 | — | — | |
| SCHEMBL2614759 | 0.41 | — | — | |
| SCHEMBL12018031 | 0.39 | — | — | |
| SCHEMBL20080935 | 0.39 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017027710-A1 | ELECTRON DONOR FOR POLYOLEFIN POLYMERIZATION CATALYSTS AND USES THEREOF | W.R. GRACE & CO.-CONN. (US) | 2017-02-16 | — | — | WO | disclosed |