⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL879562 | 0.75 | — | — | |
| SCHEMBL9009770 | 0.75 | — | — | |
| SCHEMBL558033 | 0.75 | — | — | |
| SCHEMBL12127317 | 0.75 | — | — | |
| SCHEMBL31656490 | 0.75 | — | — | |
| SCHEMBL9340485 | 0.75 | — | — | |
| SCHEMBL31356514 | 0.73 | — | — | |
| SCHEMBL669333 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL29151203 | 0.73 | NUDT1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL5132889 | 0.73 | NOS3 (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9630958-B2 | Triazine compounds | SPHAERA PHARMA PTE. LTD. (SG) | 2017-04-25 | — | — | US | disclosed |
| US-9630958-B2 | Triazine compounds | SPHAERA PHARMA PTE. LTD. (SG) | 2017-04-25 | — | — | US | disclosed |
| US-20150197515-A1 | NOVEL TRIAZINE COMPOUNDS | SPHAERA PHARMA PTE. LTD. (SG) | 2015-07-16 | — | — | US | disclosed |
| US-20150197515-A1 | NOVEL TRIAZINE COMPOUNDS | SPHAERA PHARMA PTE. LTD. (SG) | 2015-07-16 | — | — | US | disclosed |
| US-8921361-B2 | Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes | UNIVERSITY OF BASEL (CH) | 2014-12-30 | — | — | US | disclosed |
| WO-2014016849-A9 | NOVEL TRIAZINE COMPOUNDS | SPHAERA PHARMA PTE. LTD. (SG) | 2014-03-13 | — | — | WO | disclosed |
| WO-2013113799-A1 | PHENYL -C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION COMBINATION THERAPY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-08 | — | — | WO | disclosed |
| WO-2010052569-A2 | TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2010-05-14 | — | — | WO | disclosed |