⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9084173 | 0.80 | — | — | |
| SCHEMBL301156 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11536308 | 0.69 | — | — | |
| SCHEMBL12491910 | 0.67 | ABAT (0.48) | — | |
| SCHEMBL12491864 | 0.67 | ABAT (0.60) | — | |
| SCHEMBL12491907 | 0.67 | ABAT (0.48) | — | |
| SCHEMBL3175913 | 0.67 | ABAT (0.48) | — | |
| SCHEMBL1029022 | 0.66 | — | — | |
| SCHEMBL574547 | 0.65 | — | — | |
| SCHEMBL28352421 | 0.64 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107176939-A | A kind of new tripodia ketone ligand organic compound and preparation method and application | 赵学辉 | 2017-09-19 | — | — | CN | claimed |
| CN-107176938-A | A kind of triketone organic compound and preparation method and application | 赵学辉 | 2017-09-19 | — | — | CN | claimed |
| US-8394813-B2 | Active agent delivery systems and methods for protecting and administering active agents | SHIRE LLC (US) | 2013-03-12 | — | — | US | disclosed |
| EP-2316469-A1 | Delivery system and methods for protecting and administering dextroamphetamine | Shire LLC (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2316468-A1 | Delivery system and methods for protecting and administering dextroamphetamine | Shire LLC (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2266590-A2 | Active agent delivery sytems and methods for protecting and administering active agents | Shire LLC (US) | 2010-12-29 | — | — | EP | disclosed |
| US-20090306228-A1 | ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS | SHIRE LLC (US) | 2009-12-10 | — | — | US | disclosed |
| US-20090253792-A1 | ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS | SHIRE LLC (US) | 2009-10-08 | — | — | US | disclosed |
| US-7427600-B2 | Active agent delivery systems and methods for protecting and administering active agents | SHIRE LLC (US) | 2008-09-23 | — | — | US | disclosed |
| US-20070232529-A1 | mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage | NEW RIVER PHARMACEUTICALS INC. (US) | 2007-10-04 | — | — | US | disclosed |
| EP-1490090-A4 | ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS | NEW RIVER PHARMACEUTICALS INC (US) | 2006-09-20 | — | — | EP | disclosed |
| US-6472422-B2 | TREATING DRUG ADDICTION | GEORGETOWN UNIVERSITY | 2002-10-29 | — | — | US | disclosed |
| US-6440996-B1 | Monomeric and dimeric heterocycles, and therapeutic uses thereof | GEORGETOWN UNIVERSITY | 2002-08-27 | — | — | US | disclosed |
| US-20020055521-A1 | Analogs of cocaine | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-05-09 | — | — | US | disclosed |
| EP-1119553-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2001-08-01 | — | — | EP | disclosed |
| US-6180648-B1 | Analogs of cocaine | BIOSTREAM THERAPEUTICS, INC. | 2001-01-30 | — | — | US | disclosed |
| WO-2000020390-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2000-04-13 | — | — | WO | disclosed |
| EP-0975595-A1 | ANALOGS OF COCAINE | GEORGETOWN UNIVERSITY (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998045263-A1 | ANALOGS OF COCAINE | GEORGETOWN UNIVERSITY (US) | 1998-10-15 | — | — | WO | disclosed |
| CN-87101230-A | New chroman derivatives and its preparation method | — | 1988-06-29 | — | — | CN | disclosed |