⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13416385 | 0.80 | — | — | |
| SCHEMBL4762655 | 0.80 | — | — | |
| SCHEMBL7940515 | 0.80 | — | — | |
| SCHEMBL4624879 | 0.79 | — | — | |
| SCHEMBL642457 | 0.79 | — | — | |
| SCHEMBL12955160 | 0.79 | — | — | |
| Water SCHEMBL21879757 | 0.75 | — | — | |
| SCHEMBL23762378 | 0.74 | — | — | |
| SCHEMBL19592160 | 0.74 | — | — | |
| SCHEMBL14299182 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1902077-B2 | NEUTRALISED CATIONIC POLYMER, COMPOSITION CONTAINING SAID POLYMER AND A COSMETIC TREATMENT METHOD | OREAL (FR) | 2018-07-18 | — | — | EP | disclosed |
| WO-2009111442-A1 | AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2009-09-11 | — | — | WO | disclosed |