⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2938477 | 0.74 | — | — | |
| SCHEMBL3762459 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL18126118 | 0.67 | — | — | |
| SCHEMBL6574124 | 0.67 | — | — | |
| SCHEMBL14659578 | 0.65 | — | — | |
| SCHEMBL13451 | 0.64 | CTSK (0.31) | — | |
| SCHEMBL271045 | 0.64 | — | — | |
| SCHEMBL3760200 | 0.64 | — | — | |
| SCHEMBL7186086 | 0.63 | TSHR (0.46) | — | |
| SCHEMBL3765466 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109988172-A | A kind of synthetic method of pyrazolo [1,5-A] pyrimidine heterocyclic compounds and derivative | 石家庄学院 | 2019-07-09 | — | — | CN | claimed |
| EP-0840741-B1 | PNA-DNA CHIMERAS AND PNA SYNTHONS FOR THEIR PREPARATION | PERSEPTIVE BIOSYSTEMS INC (US) | 2004-04-28 | — | — | EP | claimed |
| CN-109988172-A | A kind of synthetic method of pyrazolo [1,5-A] pyrimidine heterocyclic compounds and derivative | 石家庄学院 | 2019-07-09 | — | — | CN | disclosed |
| CN-107074861-A | 9H pyrimido [4,5-B ] indoles and related analogs as BET bromodomain inhibitors | 密执安大学评议会 | 2017-08-18 | — | — | CN | disclosed |