⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15326976 | 0.85 | — | — | |
| SCHEMBL15326975 | 0.85 | — | — | |
| SCHEMBL19302366 | 0.71 | — | — | |
| SCHEMBL28188843 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL13927528 | 0.68 | — | — | |
| SCHEMBL19415128 | 0.67 | — | — | |
| SCHEMBL16465643 | 0.65 | CES2 (0.30) | — | |
| SCHEMBL9317701 | 0.65 | — | — | |
| SCHEMBL9317697 | 0.65 | — | — | |
| SCHEMBL19087302 | 0.65 | TDP1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611174-A1 | [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR | Medshine Discovery Inc. (CN) | 2020-02-19 | — | — | EP | disclosed |