⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3312612 | 1.00 | — | — | |
| SCHEMBL3856738 | 0.91 | — | — | |
| SCHEMBL18433962 | 0.88 | — | — | |
| SCHEMBL29703847 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL6608222 | 0.76 | — | — | |
| SCHEMBL15811320 | 0.67 | — | — | |
| SCHEMBL13598576 | 0.67 | — | — | |
| SCHEMBL4357889 | 0.67 | — | — | |
| SCHEMBL23346793 | 0.67 | — | — | |
| SCHEMBL14747926 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7067326-B2 | Synthetic receptors, libraries and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2006-06-27 | — | — | US | disclosed |
| US-6797522-B1 | SOLID PHASE SYNTHESIS; LIBRARIES; ENZYME INHIBITORS; CHROMATOGRAPHY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2004-09-28 | — | — | US | disclosed |
| US-20030104360-A1 | SYNTHETIC RECEPTORS, LIBRARIES AND USES THEREOF | PHARMACOPEIA, LLC | 2003-06-05 | — | — | US | disclosed |
| EP-0739486-A4 | SYNTHETIC RECEPTORS, LIBRARIES AND USES THEREOF | UNIV COLUMBIA (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0739486-A1 | SYNTHETIC RECEPTORS, LIBRARIES AND USES THEREOF | The Trustees of Columbia University in the City of New York (US) | 1996-10-30 | — | — | EP | disclosed |
| WO-1995020590-A1 | ENANTIOSELECTIVE RECEPTORS FOR AMINO ACID DERIVATIVES, AND OTHER COMPOUNDS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1995-08-03 | — | — | WO | disclosed |
| WO-1995019567-A1 | SYNTHETIC RECEPTORS, LIBRARIES AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1995-07-20 | — | — | WO | disclosed |