⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7961408 | 0.84 | — | — | |
| SCHEMBL28321751 | 0.80 | OPRM1 (0.41) | — | |
| SCHEMBL11169734 | 0.80 | OPRM1 (0.41) | — | |
| SCHEMBL291467 | 0.77 | — | — | |
| SCHEMBL1935800 | 0.77 | — | — | |
| SCHEMBL7964003 | 0.72 | — | — | |
| SCHEMBL19940138 | 0.72 | — | — | |
| SCHEMBL25988152 | 0.72 | — | — | |
| SCHEMBL27470810 | 0.72 | — | — | |
| SCHEMBL7962606 | 0.71 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103917535-B | Pyrazole compounds and pharmaceutical use thereof | JAPAN TOBACCO INC | 2015-06-24 | — | — | CN | disclosed |
| EP-2331512-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010025833-A1 | ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| US-7045309-B2 | Inhibit adenylyl cyclase in cells but have little effect on isolated adenylyl cyclase; useful as prodrugs for inhibiting adenylyl cyclase and lowering 3':5'-cAMP in cells, thereby inhibiting adenylyl cyclase dependent effects within cells | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2006-05-16 | — | — | US | disclosed |
| WO-2004080466-A1 | CYTIDINE ANALOGS AND METHODS OF USE | RIBAPHARM INC. (US) | 2004-09-23 | — | — | WO | disclosed |
| US-20040053825-A1 | 9-Substituted adenine derivatives as prodrug regulators of cell and tissue function | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK | 2004-03-18 | — | — | US | disclosed |
| WO-2003061576-A2 | DEAZAPURINE NUCLEOSIDE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS | RIBAPHARM INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003062257-A1 | DEAZAPURINE NUCLEOSIDE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS | RIBAPHARM INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003020222-A2 | PYRROLO[2,3-d]PYRIMIDINES FOR INHIBITING RNA-DEPENDENT RNA VIRAL POLYMERASE | MERCK & CO., INC. (US) | 2003-03-13 | — | — | WO | disclosed |
| WO-2002004475-A1 | 9-SUBSTITUTED ADENINE DERIVATIVES AS PRODRUG REGULATORS OF CELL AND TISSUE FUNCTION | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2002-01-17 | — | — | WO | disclosed |
| US-5885934-A | HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| EP-0777658-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-11 | — | — | EP | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| WO-1996005179-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-22 | — | — | WO | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| WO-1994011344-A1 | SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDES FOR USE AS HERBICIDES AND/OR DEFOLIANTS OR DESICCANTS | BASF AKTIENGESELLSCHAFT (DE) | 1994-05-26 | — | — | WO | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |