⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10506306 | 0.98 | KCNK3 (0.47) | — | |
| Hydrochloric Acid SCHEMBL30164242 | 0.98 | KCNK3 (0.47) | — | |
| SCHEMBL19944584 | 0.83 | KCNK3 (0.46) | — | |
| SCHEMBL27339510 | 0.83 | KCNK3 (0.46) | — | |
| SCHEMBL7046046 | 0.80 | — | — | |
| SCHEMBL23801532 | 0.79 | PTK2 (0.48) | — | |
| SCHEMBL11474390 | 0.79 | KCNK3 (0.43) | — | |
| SCHEMBL6966267 | 0.78 | — | — | |
| SCHEMBL3705840 | 0.78 | — | — | |
| SCHEMBL3273821 | 0.78 | PTK2 (0.50) | — |
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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367673-B2 | Substituted diketopiperazines as oxytocin antagonists | GLAXO GROUP LIMITED (GB) | 2013-02-05 | — | — | US | claimed |
| JP-2012500783-A | — | — | 2012-01-12 | — | — | JP | claimed |
| EP-2331518-A1 | NEW BRADYKININ B1 ANTAGONISTS | Evotec AG (DE) | 2011-06-15 | — | — | EP | claimed |
| EP-2245023-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009101022-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-20 | — | — | WO | claimed |
| US-20090186867-A1 | Substituted Diketopiperazines As Oxytocin Antagonists | GLAXO GROUP LIMITED | 2009-07-23 | — | — | 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 |
| 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 |
| 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 |
| WO-2023220440-A1 | OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF | WAVE LIFE SCIENCES LTD. (SG) | 2023-11-16 | — | — | WO | disclosed |
| WO-2023091644-A2 | HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO | WAVE LIFE SCIENCES LTD. (SG) | 2023-05-25 | — | — | WO | disclosed |
| WO-2023049218-A1 | DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO | WAVE LIFE SCIENCES LTD. (SG) | 2023-03-30 | — | — | WO | disclosed |
| WO-2022099159-A1 | OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF | WAVE LIFE SCIENCES LTD. (SG) | 2022-05-12 | — | — | WO | disclosed |
| US-4346076-A | Bis-tetrazoylmethyl substituted cephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1982-08-24 | — | — | US | disclosed |
| EP-0048165-A1 | Bis-tetrazolemethyl substituted beta-lactam antibiotics, their preparation and pharmaceutical formulations containing them | ELI LILLY AND COMPANY (US) | 1982-03-24 | — | — | EP | disclosed |
| EP-0048169-A2 | Bis-tetrazoylmethyl substituted cephalosporin antibiotics, their preparation and pharmaceutical formulations containing them | ELI LILLY AND COMPANY (US) | 1982-03-24 | — | — | EP | disclosed |
| US-4304774-A | Bis-tetrazolmethyl substituted β-lactam antibiotics | ELI LILLY AND COMPANY (US) | 1981-12-08 | — | — | US | disclosed |