⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27892844 | 0.80 | CHRNA4 (0.44) | — | |
| Hydrochloric Acid SCHEMBL30596464 | 0.76 | — | — | |
| Benzene SCHEMBL28325923 | 0.76 | CHRNA4 (0.46) | — | |
| SCHEMBL2413529 | 0.76 | — | — | |
| SCHEMBL22361539 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29974433 | 0.74 | CHRNA4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL29156121 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29290252 | 0.74 | CHRNA4 (0.41) | — | |
| SCHEMBL8916525 | 0.73 | — | — | |
| SCHEMBL28306983 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-23 | — | — | US | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |
| US-20040266826-A1 | Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-12-30 | — | — | US | disclosed |
| EP-1423386-A1 | THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003022842-A1 | THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-20 | — | — | WO | disclosed |