⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1870256 | 0.91 | — | — | |
| SCHEMBL1150 | 0.65 | — | — | |
| SCHEMBL23904 | 0.58 | — | — | |
| SCHEMBL145743 | 0.53 | — | — | |
| SCHEMBL3455441 | 0.53 | ALDH1A1 (1.00) | — | |
| SCHEMBL9576477 | 0.53 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL130914 | 0.53 | — | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.53 | — | — | |
| Tetrahydrofuran SCHEMBL6298732 | 0.53 | — | — | |
| SCHEMBL449059 | 0.53 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0485495-A1 | USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA | Beecham Group p.l.c. (GB) | 1992-05-20 | — | — | EP | claimed |
| EP-0421587-A2 | Xanthine derivatives used in asthma | Beecham Group p.l.c. (GB) | 1991-04-10 | — | — | EP | claimed |
| WO-1991001730-A2 | USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA | BEECHAM GROUP PLC (GB) | 1991-02-21 | — | — | WO | claimed |
| US-4657910-A | Treatment of cerebrovascular disorders and/or disorders associated with cerebral senility | BEECHAM-WUELFING GMBH & CO. KG (DE) | 1987-04-14 | — | — | US | claimed |
| EP-0195496-A2 | Use of xanthines in the treatment of proliferative skin disease | BEECHAM GROUP PLC (GB) | 1986-09-24 | — | — | EP | claimed |
| EP-0173039-A2 | Use of xanthine and thioxanthine derivatives for the preparation of medicaments | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1986-03-05 | — | — | EP | claimed |
| EP-0018135-B1 | XANTHINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-09-28 | — | — | EP | claimed |
| EP-0017478-B1 | DIALKOXY- AND DIOXACYCLOALKYL-ALKYLTHEOBROMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-03-30 | — | — | EP | claimed |
| EP-0018135-A1 | Xanthine derivatives, a process for their preparation and their use in pharmaceutical compositions | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-29 | — | — | EP | claimed |
| EP-0017478-A1 | Dialkoxy- and dioxacycloalkyl-alkyltheobromines, pharmaceutical compositions containing them and their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-15 | — | — | EP | claimed |
| US-RE43858-E1 | Substituted cycloalkene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| US-7935835-B2 | Substituted cycloalkene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-05-03 | — | — | US | disclosed |
| US-20090233952-A1 | SUBSTITUTED CYCLOALKENE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | disclosed |
| EP-1935879-A1 | SUBSTITUTED CYCLOALKENE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2008-06-25 | — | — | EP | disclosed |
| EP-0485495-A1 | USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA | Beecham Group p.l.c. (GB) | 1992-05-20 | — | — | EP | disclosed |
| EP-0017478-B1 | DIALKOXY- AND DIOXACYCLOALKYL-ALKYLTHEOBROMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-03-30 | — | — | EP | disclosed |
| EP-0018135-A1 | Xanthine derivatives, a process for their preparation and their use in pharmaceutical compositions | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-29 | — | — | EP | disclosed |
| EP-0018135-A1 | Xanthine derivatives, a process for their preparation and their use in pharmaceutical compositions | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-29 | — | — | EP | disclosed |
| EP-0017478-A1 | Dialkoxy- and dioxacycloalkyl-alkyltheobromines, pharmaceutical compositions containing them and their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-15 | — | — | EP | disclosed |
| EP-0017478-A1 | Dialkoxy- and dioxacycloalkyl-alkyltheobromines, pharmaceutical compositions containing them and their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-15 | — | — | EP | disclosed |