⚠ 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 SCHEMBL11828318 | 1.00 | TSHR (0.58) | — | |
| SCHEMBL28129975 | 0.96 | TSHR (0.61) | — | |
| SCHEMBL28140 | 0.96 | — | — | |
| SCHEMBL1864120 | 0.92 | — | — | |
| SCHEMBL30321461 | 0.92 | — | — | |
| SCHEMBL28271159 | 0.92 | — | — | |
| Bromide SCHEMBL4960063 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL29273437 | 0.92 | TSHR (0.58) | — | |
| Hydrogen Sulfide SCHEMBL22129212 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27762948 | 0.92 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116535357-A | Arylamino benzamide derivative containing substituted pyrazole structure, preparation method and application | 西北农林科技大学 | 2023-08-04 | — | — | CN | disclosed |
| US-8349835-B2 | Aromatic ring fused triazine derivatives and uses thereof | SHENYANG PHARMACEUTICAL UNIVERSITY (CN) | 2013-01-08 | — | — | US | disclosed |
| US-20110183972-A1 | AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF | SHENYANG PHARMACEUTICAL UNIVERSITY (CN) | 2011-07-28 | — | — | US | disclosed |
| EP-2251332-A1 | THE AROMATIC RING TRIAZINE DERIVATIVES AND THE USES THEREOF | Shenyang Pharmaceutical University (CN) | 2010-11-17 | — | — | EP | 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 |