⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5367283 | 0.76 | — | — | |
| SCHEMBL1169617 | 0.73 | — | — | |
| SCHEMBL3066647 | 0.73 | — | — | |
| SCHEMBL6001328 | 0.73 | — | — | |
| SCHEMBL12830085 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL12830084 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL16742787 | 0.68 | PTPN2 (0.31) | — | |
| SCHEMBL12830087 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL11607935 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL16741120 | 0.67 | NPC1 (0.40) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541579-B2 | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LIMITED (GB) | 2013-09-24 | — | — | US | disclosed |
| US-20130131338-A1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2013-05-23 | — | — | US | disclosed |
| US-8367673-B2 | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LIMITED (GB) | 2013-02-05 | — | — | US | disclosed |
| US-8318796-B2 | Heterocyclic compounds and thrombopoietin receptor activators | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-11-27 | — | — | US | disclosed |
| US-20110077290-A1 | HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS | NISSAN CHEMICAL INDUSTRIES LIMITED (JP) | 2011-03-31 | — | — | US | disclosed |
| US-20090186867-A1 | Substituted Diketopiperazines As Oxytocin Antagonists | GLAXO GROUP LIMITED | 2009-07-23 | — | — | US | disclosed |
| US-7514437-B2 | Substituted diketopiperazines as oxytocin antagonists | SMITHKLINE BEECHAM CORP. (US) | 2009-04-07 | — | — | US | disclosed |
| EP-1458393-B1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LTD (GB) | 2008-06-25 | — | — | EP | disclosed |
| CN-100374115-C | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LTD (GB) | 2008-03-12 | — | — | CN | disclosed |
| US-20050148572-A1 | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LIMITED (GB) | 2005-07-07 | — | — | US | disclosed |
| CN-1606443-A | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LTD (GB) | 2005-04-13 | — | — | CN | disclosed |
| WO-2005000311-A1 | SUBSTITUTED DIKETOPIPERAZINES FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA | GLAXO GROUP LIMITED (GB) | 2005-01-06 | — | — | WO | disclosed |
| EP-1458393-A1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003053443-A1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2003-07-03 | — | — | WO | disclosed |