⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2160548 | 0.69 | — | — | |
| SCHEMBL697820 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL790082 | 0.65 | NOS3 (0.36) | — | |
| SCHEMBL792389 | 0.65 | — | — | |
| SCHEMBL561772 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL231621 | 0.64 | HSD17B10 (0.35) | — | |
| SCHEMBL27734995 | 0.63 | NT5E (0.42) | — | |
| SCHEMBL1116593 | 0.62 | — | — | |
| SCHEMBL698165 | 0.62 | AHR (0.31) | — | |
| SCHEMBL697742 | 0.62 | ALDH1A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101580489-B | Nitrogenous heterocyclic ring compound and preparation method and application thereof | SINOCHEM GROUP CO LTD | 2011-07-20 | — | — | CN | claimed |
| CN-101580489-A | Nitrogenous heterocyclic ring compound and preparation method and application thereof | SINOCHEM CORP (CN) | 2009-11-18 | — | — | CN | claimed |
| CN-101628881-B | Substituted cyanoacetate compound and application thereof | SINOCHEM CORP | 2012-11-14 | — | — | CN | disclosed |
| CN-101580489-B | Nitrogenous heterocyclic ring compound and preparation method and application thereof | SINOCHEM GROUP CO LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-101580489-A | Nitrogenous heterocyclic ring compound and preparation method and application thereof | SINOCHEM CORP (CN) | 2009-11-18 | — | — | CN | disclosed |