⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1039509 | 0.91 | BTN3A1 (0.32) | — | |
| SCHEMBL320910 | 0.88 | P2RY2 (0.31) | — | |
| SCHEMBL25388821 | 0.87 | — | — | |
| SCHEMBL27743482 | 0.85 | — | — | |
| SCHEMBL6045394 | 0.85 | NPSR1 (0.33) | — | |
| SCHEMBL28237743 | 0.85 | — | — | |
| SCHEMBL199122 | 0.83 | — | — | |
| SCHEMBL10380113 | 0.83 | — | — | |
| SCHEMBL27915482 | 0.75 | PYGB (0.33) | — | |
| SCHEMBL27933879 | 0.75 | PYGB (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060105375-A1 | Bioretrosynthetic methods for preparing products and compositions related thereto | VANDERBILT UNIVERSITY | 2006-05-18 | — | — | US | disclosed |
| US-20060057565-A1 | Combinatorial fluorescence energy transfer tags and uses thereof | NATIONAL SCIENCE FOUNDATION | 2006-03-16 | — | — | US | disclosed |
| EP-1322785-A4 | COMBINATORIAL FLUORESCENCE ENERGY TRANSFER TAGS AND USES THEREOF | UNIV COLUMBIA (US) | 2005-11-09 | — | — | EP | disclosed |
| US-6627748-B1 | Labels for oligonucleotide primers comprising fluorescent dyes on polyproline supports; gene mapping; spectrum analysis | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2003-09-30 | — | — | US | disclosed |
| EP-1322785-A1 | COMBINATORIAL FLUORESCENCE ENERGY TRANSFER TAGS AND USES THEREOF | The Trustees of Columbia University in the City of New York (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002022883-A1 | COMBINATORIAL FLUORESCENCE ENERGY TRANSFER TAGS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2002-03-21 | — | — | WO | disclosed |