⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16181993 | 0.90 | EPHX1 (0.57) | — | |
| SCHEMBL16856397 | 0.89 | KMT2A (0.44) | — | |
| SCHEMBL22560027 | 0.88 | EPHX1 (0.61) | — | |
| SCHEMBL4579029 | 0.77 | — | — | |
| SCHEMBL24170569 | 0.77 | HDAC3 (0.37) | — | |
| SCHEMBL1522063 | 0.76 | — | — | |
| SCHEMBL290144 | 0.74 | — | — | |
| SCHEMBL1678458 | 0.74 | — | — | |
| SCHEMBL4436133 | 0.74 | — | — | |
| SCHEMBL7877130 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3130592-B1 | ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS | HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) | 2019-08-14 | — | — | EP | disclosed |
| EP-3159341-A1 | PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) | 2017-04-26 | — | — | EP | disclosed |
| EP-2588197-B1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES INC (US) | 2014-11-05 | — | — | EP | disclosed |
| EP-2582696-B1 | 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS | NOVARTIS AG (CH) | 2014-10-22 | — | — | EP | disclosed |