⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5840281 | 1.00 | — | — | |
| SCHEMBL5494813 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL5499758 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL5499867 | 0.79 | — | — | |
| SCHEMBL5496846 | 0.79 | — | — | |
| SCHEMBL5199100 | 0.78 | — | — | |
| SCHEMBL28497357 | 0.78 | — | — | |
| SCHEMBL5665686 | 0.76 | — | — | |
| SCHEMBL6373695 | 0.74 | — | — | |
| SCHEMBL19518804 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3283615-A1 | ITERATIVE PLATFORM FOR THE SYNTHESIS OF ALPHA FUNCTIONALIZED PRODUCTS | William Marsh Rice University (US) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016168681-A9 | ITERATIVE PLATFORM FOR THE SYNTHESIS OF ALPHA FUNCTIONALIZED PRODUCTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-12-15 | — | — | WO | disclosed |
| WO-2016168681-A1 | ITERATIVE PLATFORM FOR THE SYNTHESIS OF ALPHA FUNCTIONALIZED PRODUCTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-10-20 | — | — | WO | disclosed |
| EP-1438580-A4 | COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM | UNIV CALIFORNIA (US) | 2007-11-14 | — | — | EP | disclosed |
| EP-1438580-A1 | COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003036296-A9 | COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM | UNIV CALIFORNIA (US) | 2004-05-13 | — | — | WO | disclosed |
| WO-2003036296-A1 | COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-05-01 | — | — | WO | disclosed |