⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16103222 | 1.00 | — | — | |
| SCHEMBL7769413 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL23833329 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL23833331 | 0.97 | — | — | |
| SCHEMBL7770091 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8711333 | 0.84 | GABRP (0.52) | — | |
| SCHEMBL7570352 | 0.84 | GABRP (0.52) | — | |
| Hydrochloric Acid SCHEMBL27458238 | 0.84 | GABRP (0.52) | — | |
| SCHEMBL23772724 | 0.82 | GABRP (0.50) | — | |
| SCHEMBL21345023 | 0.80 | ALOX15 (0.58) | — |
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-20140045919-A1 | Folate Conjugates | ALNYLAM PHARMACEUTICALS, INC. (US) | 2014-02-13 | — | — | 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 |