⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24644386 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL10251387 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL5481522 | 0.72 | — | — | |
| SCHEMBL5481523 | 0.72 | — | — | |
| SCHEMBL6364414 | 0.71 | — | — | |
| SCHEMBL3857558 | 0.64 | — | — | |
| SCHEMBL22148540 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL1076454 | 0.64 | — | — | |
| SCHEMBL14782952 | 0.64 | — | — | |
| SCHEMBL21461224 | 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-103801400-A | Process for synthesizing mono-phosphite metal coordination catalyst by coupling reactive distillation and magnetically-stabilized bed | CHINA TIANCHEN ENG CORP | 2014-05-21 | — | — | CN | disclosed |