⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3739331 | 0.70 | TPMT (0.39) | — | |
| SCHEMBL5523985 | 0.64 | CA1 (0.48) | — | |
| SCHEMBL24491001 | 0.60 | GAA (0.43) | — | |
| SCHEMBL8439198 | 0.60 | TTR (0.58) | — | |
| SCHEMBL8840260 | 0.56 | ALDH1A1 (0.61) | — | |
| SCHEMBL18373638 | 0.55 | CA1 (0.33) | — | |
| SCHEMBL14318817 | 0.55 | CYP3A4 (0.65) | — | |
| SCHEMBL526416 | 0.55 | ALDH1A1 (0.47) | — | |
| SCHEMBL6923830 | 0.55 | — | — | |
| SCHEMBL2360976 | 0.55 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1196716-C | Modified particle, support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer | SUMITOMO CHEMICAL CO (JP) | 2005-04-13 | — | — | CN | disclosed |
| CN-1422286-A | Modified particle, support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer | SUMITOMO CHEMICAL CO (JP) | 2003-06-04 | — | — | CN | disclosed |