⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27777173 | 1.00 | MEN1 (0.52) | — | |
| SCHEMBL29635658 | 0.97 | — | — | |
| SCHEMBL6201152 | 0.97 | — | — | |
| SCHEMBL165706 | 0.97 | — | — | |
| Water SCHEMBL28237316 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL28292165 | 0.94 | — | — | |
| Bromide SCHEMBL28196869 | 0.92 | MEN1 (0.50) | — | |
| Ethane SCHEMBL27840710 | 0.92 | MEN1 (0.50) | — | |
| Bromide SCHEMBL28196870 | 0.92 | MEN1 (0.50) | — | |
| Ethyne SCHEMBL28199179 | 0.92 | MEN1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098846-A | N- acyl sulfonamides class FBPase inhibitor, its preparation method, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-08-29 | — | — | CN | disclosed |
| CN-106699749-A | Application of 5-piperonyl thiazole derivative as anticancer drug | 湖南大学 | 2017-05-24 | — | — | CN | disclosed |
| US-7579356-B2 | Thia-tetraazaacenaphthylene kinase inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2009-08-25 | — | — | US | disclosed |
| US-20070265264-A1 | 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-11-15 | — | — | US | disclosed |
| WO-2006118749-A1 | THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-11-09 | — | — | WO | disclosed |