⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27558063 | 0.86 | EPHX2 (0.31) | — | |
| SCHEMBL5196815 | 0.70 | CNR2 (0.32) | — | |
| SCHEMBL27433178 | 0.69 | EPHX2 (0.32) | — | |
| SCHEMBL5197006 | 0.67 | — | — | |
| SCHEMBL6905481 | 0.66 | — | — | |
| SCHEMBL19558126 | 0.65 | EPHX2 (0.33) | — | |
| SCHEMBL5917718 | 0.65 | EPHX2 (0.36) | — | |
| SCHEMBL6316871 | 0.64 | — | — | |
| SCHEMBL6910896 | 0.64 | — | — | |
| SCHEMBL1337496 | 0.64 | — | — |
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-1358200-A | Catalyst for bulk polymerization, catalyst for vapor phase polymerization, method of polymerization using these and olefymer obtained with these | IDEMITSU PETROCHEMICAL CO (JP) | 2002-07-10 | — | — | CN | disclosed |