⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19105209 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL7061460 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL10582235 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL8116733 | 0.77 | — | — | |
| SCHEMBL9768646 | 0.77 | — | — | |
| SCHEMBL29425185 | 0.75 | — | — | |
| SCHEMBL19105339 | 0.75 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL27489794 | 0.73 | PTPN1 (0.30) | — | |
| SCHEMBL4144141 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL23746049 | 0.72 | CES2 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8440765-B2 | Nanostructured polymer membranes for selective alcohol transport | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-05-14 | — | — | US | disclosed |
| EP-2545098-A2 | NANOSTRUCTURED POLYMER MEMBRANES FOR SELECTIVE ALCOHOL TRANSPORT | The Regents of the University of California (US) | 2013-01-16 | — | — | EP | disclosed |
| US-20120142865-A1 | NANOSTRUCTURED POLYMER MEMBRANES FOR SELECTIVE ALCOHOL TRANSPORT | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-06-07 | — | — | US | disclosed |
| WO-2011112796-A2 | NANOSTRUCTURED POLYMER MEMBRANES FOR SELECTIVE ALCOHOL TRANSPORT | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-09-15 | — | — | WO | disclosed |