⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30493775 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL27316632 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL27578771 | 0.73 | — | — | |
| SCHEMBL29054314 | 0.73 | — | — | |
| SCHEMBL13652322 | 0.67 | — | — | |
| SCHEMBL27115656 | 0.64 | IDO1 (0.32) | — | |
| SCHEMBL17194021 | 0.64 | IDO1 (0.32) | — | |
| SCHEMBL27115657 | 0.64 | IDO1 (0.32) | — | |
| SCHEMBL28963810 | 0.63 | EPHX1 (0.42) | — | |
| SCHEMBL29216977 | 0.63 | NPSR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1126481-A | Polymerization catalyst systems, their production and use | EXXON CHEMICAL PATENTS INC (US) | 1996-07-10 | — | — | CN | disclosed |
| CN-1079478-A | The catalyzer that ethene closes with alpha-olefin copolymer and make the method for its multipolymer with it | SUMITOMO CHEMICAL CO (JP) | 1993-12-15 | — | — | CN | disclosed |