⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14548781 | 0.82 | — | — | |
| SCHEMBL240062 | 0.81 | — | — | |
| SCHEMBL7154948 | 0.80 | FDPS (0.48) | — | |
| SCHEMBL4063363 | 0.80 | FDPS (0.48) | — | |
| Bromide SCHEMBL29657458 | 0.78 | FDPS (0.47) | — | |
| SCHEMBL48663 | 0.78 | — | — | |
| SCHEMBL25257102 | 0.77 | — | — | |
| Water SCHEMBL15333942 | 0.76 | — | — | |
| SCHEMBL4837660 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL720759 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3170810-A1 | PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF | Cisen Pharmaceutical Co. Ltd. (CN) | 2017-05-24 | — | — | EP | disclosed |
| EP-3159342-A1 | PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR | Cisen Pharmaceutical Co. Ltd. (CN) | 2017-04-26 | — | — | EP | disclosed |
| EP-3130592-A1 | ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS | Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) | 2017-02-15 | — | — | EP | disclosed |
| EP-3081569-A1 | IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEREOF IN PREPARATION OF MEDICAMENT | Medshine Discovery Inc. (CN) | 2016-10-19 | — | — | EP | disclosed |
| EP-2160187-B1 | SPIROINDALONES | MERCK SHARP & DOHME (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2008144266-A1 | SPIROINDALONES | MERCK & CO., INC. (US) | 2008-11-27 | — | — | WO | disclosed |