⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5324380 | 0.78 | CTSK (0.46) | — | |
| SCHEMBL8372009 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL8466272 | 0.76 | — | — | |
| SCHEMBL5639012 | 0.76 | — | — | |
| SCHEMBL27887653 | 0.76 | — | — | |
| SCHEMBL27618759 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL10717897 | 0.76 | CHRNB2 (0.42) | — | |
| SCHEMBL3373050 | 0.75 | — | — | |
| SCHEMBL10439670 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL1905372 | 0.74 | TSHR (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105793261-B | pyrazolopyrimidine compounds | 大学健康网络 | 2018-11-30 | — | — | CN | disclosed |
| CN-105793261-A | Pyrazolopyrimidine compounds | 大学健康网络 | 2016-07-20 | — | — | CN | disclosed |