⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL976980 | 0.77 | TP53 (0.41) | — | |
| SCHEMBL84841 | 0.74 | — | — | |
| SCHEMBL4935890 | 0.74 | — | — | |
| Bromide SCHEMBL28393345 | 0.72 | — | — | |
| SCHEMBL18469871 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28392789 | 0.72 | — | — | |
| SCHEMBL11459854 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29184275 | 0.72 | — | — | |
| SCHEMBL2845839 | 0.72 | — | — | |
| SCHEMBL10644016 | 0.69 | — | — |
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-20050222408-A1 | Heterocyclic amides with anti-tuberculosis activity | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION | 2005-10-06 | — | — | US | disclosed |
| US-20050026968-A1 | Heterocyclic amides with anti-tuberculosis activity | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION | 2005-02-03 | — | — | US | disclosed |
| WO-2005007625-A2 | HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY | THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2005-01-27 | — | — | WO | disclosed |