⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28436071 | 0.77 | — | — | |
| SCHEMBL29067354 | 0.76 | — | — | |
| SCHEMBL9796856 | 0.76 | — | — | |
| SCHEMBL2156203 | 0.74 | — | — | |
| SCHEMBL30568786 | 0.72 | ACHE (0.42) | — | |
| SCHEMBL9250466 | 0.72 | SQLE (0.34) | — | |
| SCHEMBL2156367 | 0.70 | KISS1R (0.32) | — | |
| SCHEMBL4108106 | 0.70 | PTPN1 (0.42) | — | |
| SCHEMBL1241517 | 0.70 | — | — | |
| SCHEMBL1241516 | 0.70 | — | — |
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-105732912-A | Modified mud retarder for concrete and preparing method thereof | 合肥元旭环保新型材料有限公司 | 2016-07-06 | — | — | CN | claimed |
| CN-105732912-A | Modified mud retarder for concrete and preparing method thereof | 合肥元旭环保新型材料有限公司 | 2016-07-06 | — | — | CN | disclosed |