⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13257605 | 0.79 | — | — | |
| SCHEMBL10543836 | 0.74 | — | — | |
| SCHEMBL12214309 | 0.73 | — | — | |
| SCHEMBL2644683 | 0.72 | — | — | |
| SCHEMBL21645208 | 0.72 | — | — | |
| SCHEMBL23409727 | 0.72 | — | — | |
| SCHEMBL1240690 | 0.72 | — | — | |
| SCHEMBL178421 | 0.72 | — | — | |
| SCHEMBL2523829 | 0.72 | KMT2A (0.30) | — | |
| SCHEMBL2525022 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3562809-B1 | PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-06-09 | — | — | EP | disclosed |
| US-8039503-B2 | Lapachone compounds and methods of use thereof | ARQULE, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20110105470-A1 | Novel Lapachone Compounds And Methods of Use Thereof | ARQULE, INC. (US) | 2011-05-05 | — | — | US | disclosed |
| US-7902354-B2 | Lapachone compounds and methods of use thereof | ARQULE, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| US-20090105166-A1 | Novel lapachone compounds and methods of use thereof | ARQULE, INC. | 2009-04-23 | — | — | US | disclosed |
| EP-2035435-A1 | NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF | ARQULE, INC. (US) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007139569-A1 | NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF | ARQULE, INC. (US) | 2007-12-06 | — | — | WO | disclosed |