⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29248273 | 0.77 | DYRK1A (0.46) | — | |
| SCHEMBL28360929 | 0.69 | QPCT (0.47) | — | |
| SCHEMBL28357177 | 0.69 | MAPK14 (0.49) | — | |
| SCHEMBL150096 | 0.67 | MAOB (0.32) | — | |
| SCHEMBL10494072 | 0.66 | TAAR1 (0.41) | — | |
| SCHEMBL3607306 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL11288386 | 0.64 | LMNA (0.39) | — | |
| SCHEMBL435279 | 0.64 | CYP1A2 (0.38) | — | |
| SCHEMBL1491042 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL28356989 | 0.64 | MAPK14 (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 |
|---|---|---|---|---|---|---|---|
| CN-110809577-A | Modulators of adenosine A2A receptor | 雷沃医疗有限公司 | 2020-02-18 | — | — | CN | disclosed |