⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130242 | 0.83 | — | — | |
| Selenium SCHEMBL31718132 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL454044 | 0.65 | — | — | |
| SCHEMBL29858 | 0.65 | — | — | |
| SCHEMBL453887 | 0.65 | — | — | |
| SCHEMBL693730 | 0.64 | GAA (0.50) | — | |
| SCHEMBL145436 | 0.64 | KDM4E (0.30) | — | |
| SCHEMBL25429178 | 0.63 | — | — | |
| SCHEMBL406704 | 0.63 | RAB9A (0.47) | — | |
| SCHEMBL1360954 | 0.63 | KMT2A (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 406 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9133157-B2 | HIV protease inhibitors | MERCK CANADA INC. (CA) | 2015-09-15 | — | — | US | claimed |
| US-20140303171-A1 | HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2014-10-09 | — | — | US | claimed |
| US-8367673-B2 | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LIMITED (GB) | 2013-02-05 | — | — | US | claimed |
| JP-4723482-B2 | — | — | 2011-07-13 | — | — | JP | claimed |
| EP-1638928-B1 | N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES | SYNGENTA LTD (GB) | 2010-09-29 | — | — | EP | claimed |
| EP-1633730-B1 | N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES | SYNGENTA LTD (GB) | 2010-01-20 | — | — | EP | claimed |
| US-20090186867-A1 | Substituted Diketopiperazines As Oxytocin Antagonists | GLAXO GROUP LIMITED | 2009-07-23 | — | — | US | claimed |
| US-7534793-B2 | Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity | SMITHKLINE BEECHAM P.L.C. (GB) | 2009-05-19 | — | — | US | claimed |
| US-7514437-B2 | Substituted diketopiperazines as oxytocin antagonists | SMITHKLINE BEECHAM CORP. (US) | 2009-04-07 | — | — | US | claimed |
| EP-1458393-B1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LTD (GB) | 2008-06-25 | — | — | EP | claimed |
| WO-2006014135-A1 | NOVEL PIPERIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS FOR TREATMENT OF DEPRESSION | ASTRAZENECA AB (SE) | 2006-02-09 | — | — | WO | claimed |
| WO-2006014136-A1 | PIPERIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2006-02-09 | — | — | WO | claimed |
| US-20050148572-A1 | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LIMITED (GB) | 2005-07-07 | — | — | US | claimed |
| WO-2005000311-A1 | SUBSTITUTED DIKETOPIPERAZINES FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA | GLAXO GROUP LIMITED (GB) | 2005-01-06 | — | — | WO | claimed |
| WO-2004108663-A1 | N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES | SYNGENTA LIMITED (GB) | 2004-12-16 | — | — | WO | claimed |
| WO-2004108694-A1 | N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES | SYNGENTA LIMITED (GB) | 2004-12-16 | — | — | WO | claimed |
| EP-1458393-A1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-09-22 | — | — | EP | claimed |
| WO-2003053443-A1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2003-07-03 | — | — | WO | claimed |
| EP-0270947-B1 | SUBSTITUTED BASIC 2-AMINOTETRALINES | BAYER AG (DE) | 1993-05-19 | — | — | EP | claimed |
| EP-0270947-A2 | Substituted basic 2-aminotetralines | BAYER AG (DE) | 1988-06-15 | — | — | EP | claimed |