⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28321551 | 0.80 | CAPN1 (0.32) | — | |
| SCHEMBL28293382 | 0.69 | — | — | |
| SCHEMBL1162272 | 0.67 | — | — | |
| SCHEMBL2270853 | 0.67 | — | — | |
| SCHEMBL2005072 | 0.67 | — | — | |
| SCHEMBL981628 | 0.67 | — | — | |
| SCHEMBL156217 | 0.67 | — | — | |
| SCHEMBL8051999 | 0.67 | — | — | |
| SCHEMBL8198194 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7241248 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2117709-A2 | HYBRID MATERIAL, AND METHOD FOR THE PRODUCTION THEREOF | UNIVERSITE PIERRE ET MARIE CURIE (FR) | 2009-11-18 | — | — | EP | claimed |
| WO-2008129151-A2 | HYBRID MATERIAL, AND METHOD FOR THE PRODUCTION THEREOF | UNIVERSITE PIERRE ET MARIE CURIE (FR) | 2008-10-30 | — | — | WO | claimed |
| CN-110862397-A | Dioxane quinazoline and dioxane quinoline compounds, and preparation method and application thereof | 北京赛特明强医药科技有限公司 | 2020-03-06 | — | — | CN | disclosed |
| EP-2117709-A2 | HYBRID MATERIAL, AND METHOD FOR THE PRODUCTION THEREOF | UNIVERSITE PIERRE ET MARIE CURIE (FR) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008129151-A2 | HYBRID MATERIAL, AND METHOD FOR THE PRODUCTION THEREOF | UNIVERSITE PIERRE ET MARIE CURIE (FR) | 2008-10-30 | — | — | WO | disclosed |