⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35362 | 0.96 | — | — | |
| SCHEMBL27770568 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL9442587 | 0.92 | — | — | |
| Methane SCHEMBL9807936 | 0.92 | — | — | |
| SCHEMBL29547134 | 0.92 | — | — | |
| SCHEMBL5959079 | 0.92 | — | — | |
| SCHEMBL10179055 | 0.92 | — | — | |
| SCHEMBL9063594 | 0.92 | — | — | |
| SCHEMBL5959085 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28232245 | 0.92 | — | — |
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-103464157-B | A kind of preparation method of acetic ester hydrogenation catalyst | 神华集团有限责任公司 | 2016-06-15 | — | — | CN | disclosed |
| CN-103464157-A | Preparation method of acetic ester hydrogenation catalyst | SHENHUA GROUP CORP LTD | 2013-12-25 | — | — | CN | disclosed |