⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4194764 | 1.00 | — | — | |
| SCHEMBL6977352 | 0.69 | — | — | |
| SCHEMBL6977354 | 0.69 | — | — | |
| SCHEMBL18886223 | 0.67 | — | — | |
| SCHEMBL1025985 | 0.67 | — | — | |
| SCHEMBL151293 | 0.67 | — | — | |
| SCHEMBL14061003 | 0.67 | — | — | |
| SCHEMBL1753472 | 0.67 | — | — | |
| SCHEMBL3334157 | 0.65 | — | — | |
| SCHEMBL6969669 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7521581-B2 | Catalyst composition and process for producing cross-coupled compound using same | TOSOH CORPORATION (JP) | 2009-04-21 | — | — | US | disclosed |
| EP-1707263-B1 | Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same | TOSOH CORP (JP) | 2009-02-25 | — | — | EP | disclosed |
| US-20060224011-A1 | Catalyst composition and process for producing cross-coupled compound using same | TOSOH CORPORATION | 2006-10-05 | — | — | US | disclosed |
| EP-1707263-A1 | Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same | Tosoh Corporation (JP) | 2006-10-04 | — | — | EP | disclosed |
| US-20030022864-A1 | 9-[(5-dihydroxyboryl)-pentyl] purines, useful as an inhibitor of inflammatory cytokines | LEUKOMED, INC. | 2003-01-30 | — | — | US | disclosed |
| WO-2002085916-A1 | 9-[(5-DIHYDROXYBORYL)-PENTYL] PURINES, INHIBITOR OF INFLAMMATORY CYTOKINES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2002-10-31 | — | — | WO | disclosed |
| EP-0767793-B1 | N-SUBSTITUTED-(DIHYDROXYBORYL)ALKYL PURINE, INDOLE AND PYRIMIDINE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES | UNIV NORTH CAROLINA (US) | 2002-09-18 | — | — | EP | disclosed |
| US-5643893-A | ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS | MACRONEX, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| EP-0767793-A1 | N-SUBSTITUTED-(DIHYDROXYBORYL)ALKYL PURINE, INDOLE AND PYRIMIDINE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES | MACRONEX, INC. (US) | 1997-04-16 | — | — | EP | disclosed |
| WO-1995035300-A1 | N-SUBSTITUTED-(DIHYDROXYBORYL)ALKYL PURINE, INDOLE AND PYRIMIDINE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES | MACRONEX, INC. (US) | 1995-12-28 | — | — | WO | disclosed |