⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5369014 | 0.81 | — | — | |
| SCHEMBL181841 | 0.79 | ALDH1A1 (0.74) | — | |
| SCHEMBL15233 | 0.79 | CES2 (1.00) | — | |
| SCHEMBL2155972 | 0.79 | CES2 (1.00) | — | |
| SCHEMBL23340458 | 0.78 | CES2 (0.62) | — | |
| Ethylene SCHEMBL27637346 | 0.78 | CES2 (0.62) | — | |
| Formaldehyde SCHEMBL1769905 | 0.78 | CES2 (0.62) | — | |
| SCHEMBL24446 | 0.77 | — | — | |
| SCHEMBL4031476 | 0.77 | — | — | |
| SCHEMBL467888 | 0.77 | — | — |
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 255 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2298769-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-10-30 | — | — | EP | claimed |
| US-20130165428-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2013-06-27 | — | — | US | claimed |
| EP-1953162-B9 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-10-31 | — | — | EP | claimed |
| US-20120252782-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) | 2012-10-04 | — | — | US | claimed |
| EP-1953162-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-06-20 | — | — | EP | claimed |
| US-20120035158-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) | 2012-02-09 | — | — | US | claimed |
| JP-4832758-B2 | — | — | 2011-12-07 | — | — | JP | claimed |
| US-20110144083-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-16 | — | — | US | claimed |
| EP-2298769-A1 | Xanthin derivatives, their production and utilisation as medicine | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-03-23 | — | — | EP | claimed |
| US-20110053981-A1 | Methods and Compositions Using Cholinesterase Inhibitors | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-03-03 | — | — | US | claimed |
| JP-2003525903-A | — | — | 2003-09-02 | — | — | JP | claimed |
| EP-1311272-A4 | NOVEL METHODS USING CHOLINESTERASE INHIBITORS | EISAI CO LTD (JP) | 2003-05-21 | — | — | EP | claimed |
| EP-1311272-A1 | NOVEL METHODS USING CHOLINESTERASE INHIBITORS | Eisai Co., Ltd. (JP) | 2003-05-21 | — | — | EP | claimed |
| WO-2002068420-A1 | XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-09-06 | — | — | WO | claimed |
| WO-2001066114-A1 | NOVEL METHODS USING CHOLINESTERASE INHIBITORS | EISAI CO., LTD. (JP) | 2001-09-13 | — | — | WO | claimed |
| EP-0976722-A1 | BENZAMIDINE DERIVATIVES | Ajinomoto Co., Inc. (JP) | 2000-02-02 | — | — | EP | claimed |
| CN-1243505-A | Benzamidine derivatives | AJINOMOTO KK (JP) | 2000-02-02 | — | — | CN | claimed |
| CN-1030752-A | Preparation method of cyclic amine compound | EISAI CO LTD (JP) | 1989-02-01 | — | — | CN | claimed |
| US-4103086-A | 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives | SMITHKLINE CORPORATION (US) | 1978-07-25 | — | — | US | claimed |
| US-4000154-A | 3-Substituted-6β-(amino- and acylamino)-7-oxo-1,3-diazabicyclo[3.2.0]-h | SMITHKLINE CORPORATION (US) | 1976-12-28 | — | — | US | claimed |