⚠ 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL474106 | 1.00 | — | — | |
| Pyrimidine SCHEMBL27468324 | 1.00 | — | — | |
| Pyrimidine SCHEMBL29259324 | 0.97 | — | — | |
| Pyrimidine SCHEMBL28128143 | 0.97 | — | — | |
| Pyrazine SCHEMBL7076856 | 0.95 | TSHR (0.30) | — | |
| Pyrimidine SCHEMBL28607143 | 0.93 | — | — | |
| SCHEMBL11082632 | 0.89 | — | — | |
| Pyridine SCHEMBL27719118 | 0.89 | TSHR (0.38) | — | |
| Pyrimidine SCHEMBL6831811 | 0.87 | — | — | |
| Pyrimidine SCHEMBL21753452 | 0.87 | — | — |
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-110467617-A | A kind of technique of three innovations synthesis 2- amino -5- methyl -4- oxo -3- n-propyl triazolo pyrimidine | MENG XIANFENG | 2019-11-19 | — | — | CN | disclosed |