⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23792709 | 0.92 | — | — | |
| SCHEMBL22484117 | 0.82 | — | — | |
| SCHEMBL21410564 | 0.82 | — | — | |
| SCHEMBL19507072 | 0.81 | — | — | |
| SCHEMBL87230 | 0.81 | — | — | |
| SCHEMBL18135470 | 0.79 | — | — | |
| SCHEMBL12912878 | 0.78 | — | — | |
| SCHEMBL17707915 | 0.77 | — | — | |
| SCHEMBL12180002 | 0.77 | — | — | |
| SCHEMBL21410454 | 0.77 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9745252-B2 | Cross-linking moiety | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2017-08-29 | — | — | US | disclosed |
| US-9745252-B2 | Cross-linking moiety | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2017-08-29 | — | — | US | disclosed |
| US-9745252-B2 | Cross-linking moiety | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2017-08-29 | — | — | US | disclosed |
| EP-2507309-A1 | A CROSS-LINKING MOIETY | National University of Singapore (SG) | 2012-10-10 | — | — | EP | disclosed |
| US-20120244294-A1 | CROSS-LINKING MOIETY | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2012-09-27 | — | — | US | disclosed |
| US-20120244294-A1 | CROSS-LINKING MOIETY | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2012-09-27 | — | — | US | disclosed |
| US-20120244294-A1 | CROSS-LINKING MOIETY | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2012-09-27 | — | — | US | disclosed |
| WO-2011068482-A1 | A CROSS-LINKING MOIETY | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2011-06-09 | — | — | WO | disclosed |
| WO-2011068482-A1 | A CROSS-LINKING MOIETY | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2011-06-09 | — | — | WO | disclosed |