⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16408162 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL2235659 | 0.74 | AKT2 (0.31) | — | |
| SCHEMBL2234221 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL2235551 | 0.73 | NPC1 (0.33) | — | |
| SCHEMBL2236464 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL2234210 | 0.72 | METAP1 (0.35) | — | |
| SCHEMBL2235465 | 0.71 | — | — | |
| SCHEMBL2235324 | 0.70 | — | — | |
| SCHEMBL2236190 | 0.69 | CYP1A1 (0.34) | — | |
| SCHEMBL2234463 | 0.69 | KIF11 (0.35) | — |
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-102245620-A | Metallocene complex and method for polymerizing olefin | JAPAN POLYPROPYLENE CORP | 2011-11-16 | — | — | CN | disclosed |