⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL27609475 | 0.95 | — | — | |
| SCHEMBL27609336 | 0.80 | — | — | |
| SCHEMBL28753218 | 0.77 | — | — | |
| SCHEMBL27609255 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL3193262 | 0.76 | SIGMAR1 (0.32) | — | |
| SCHEMBL27591096 | 0.74 | — | — | |
| SCHEMBL3216501 | 0.71 | — | — | |
| SCHEMBL27590830 | 0.71 | — | — | |
| SCHEMBL3214061 | 0.70 | — | — | |
| SCHEMBL27609297 | 0.69 | SIGMAR1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1817837-B | Carbonyl compound and method for preparing the same | SUMITOMO CHEMICAL CO | 2010-06-16 | — | — | CN | disclosed |
| CN-100357303-C | Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same | SUMITOMO CHEMICAL CO (JP) | 2007-12-26 | — | — | CN | disclosed |
| CN-1817837-A | Substituted cyclopentadiene and method for producing the same | SUMITOMO CHEMICAL CO (JP) | 2006-08-16 | — | — | CN | disclosed |
| CN-1578783-A | Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same | SUMITOMO CHEMICAL CO (JP) | 2005-02-09 | — | — | CN | disclosed |