⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22081800 | 1.00 | — | — | |
| SCHEMBL16103745 | 1.00 | — | — | |
| Acetic Acid SCHEMBL8022474 | 0.91 | KMT2A (0.50) | — | |
| SCHEMBL28128660 | 0.87 | ENPEP (0.45) | — | |
| SCHEMBL30530245 | 0.86 | ALOX15 (0.59) | — | |
| SCHEMBL147435 | 0.79 | — | — | |
| SCHEMBL147434 | 0.79 | — | — | |
| SCHEMBL7872550 | 0.79 | — | — | |
| SCHEMBL6545713 | 0.79 | — | — | |
| SCHEMBL11349438 | 0.79 | — | — |
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-8841257-B2 | Inhibitors of STAT3 and uses thereof | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2014-09-23 | — | — | US | disclosed |
| US-20120035114-A1 | INHIBITORS OF STAT3 AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-02-09 | — | — | US | disclosed |
| US-20120035114-A1 | INHIBITORS OF STAT3 AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-02-09 | — | — | US | disclosed |
| WO-2010118309-A2 | INHIBITORS OF STAT3 AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2010-10-14 | — | — | WO | disclosed |