⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4749624 | 0.69 | — | — | |
| SCHEMBL300031 | 0.65 | MAOA (0.37) | — | |
| SCHEMBL9389984 | 0.62 | — | — | |
| SCHEMBL8662559 | 0.62 | — | — | |
| SCHEMBL31533679 | 0.62 | — | — | |
| SCHEMBL8663010 | 0.62 | — | — | |
| SCHEMBL783397 | 0.62 | — | — | |
| SCHEMBL28607991 | 0.61 | MEN1 (0.32) | — | |
| SCHEMBL9427103 | 0.59 | ERBB2 (0.32) | — | |
| SCHEMBL3932728 | 0.58 | IDO1 (0.32) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106554322-B | Phenazine derivative and application thereof in organic electroluminescent device | 北京鼎材科技有限公司 | 2021-05-04 | — | — | CN | 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 |
| EP-0922050-A1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1999-06-16 | — | — | EP | disclosed |
| WO-1997042205-A1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-11-13 | — | — | WO | disclosed |