⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3374083 | 0.76 | ACKR3 (0.44) | — | |
| SCHEMBL2205781 | 0.76 | — | — | |
| SCHEMBL2082008 | 0.76 | — | — | |
| SCHEMBL5370478 | 0.76 | — | — | |
| SCHEMBL15975009 | 0.75 | CTNNB1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4771408 | 0.75 | — | — | |
| SCHEMBL1549327 | 0.75 | MAPT (0.36) | — | |
| SCHEMBL13737167 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL1267649 | 0.74 | — | — | |
| SCHEMBL13737275 | 0.74 | KDM4E (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040152738-A1 | Pyridyl-substituted triazoles as tgf inhibitors | SMITHKLINE BEECHAM CORPORATION | 2004-08-05 | — | — | US | disclosed |
| EP-1335916-A1 | PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002040476-A1 | PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-05-23 | — | — | WO | disclosed |