⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11379312 | 0.67 | — | — | |
| SCHEMBL9093680 | 0.58 | — | — | |
| SCHEMBL11188450 | 0.56 | — | — | |
| SCHEMBL2013875 | 0.55 | — | — | |
| SCHEMBL12671546 | 0.54 | — | — | |
| SCHEMBL3341038 | 0.54 | — | — | |
| SCHEMBL10694234 | 0.54 | — | — | |
| SCHEMBL4328618 | 0.54 | — | — | |
| SCHEMBL5050144 | 0.51 | — | — | |
| SCHEMBL16690908 | 0.51 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170217908-A1 | Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis | SRI INTERNATIONAL (US) | 2017-08-03 | — | — | US | disclosed |
| US-9663478-B2 | Benzotriazine oxides as drugs targeting Mycobacterium tuberculosis | SRI INTERNATIONAL (US) | 2017-05-30 | — | — | US | disclosed |
| WO-2016170163-A1 | SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS | SENTINEL ONCOLOGY LIMITED (GB) | 2016-10-27 | — | — | WO | disclosed |
| EP-2800744-A1 | BENZOTRIAZINE OXIDES AS DRUGS TARGETING MYCOBACTERIUM TUBERCULOSIS | Sri International Inc. (US) | 2014-11-12 | — | — | EP | disclosed |
| WO-2013086467-A1 | BENZOTRIAZINE OXIDES AS DRUGS TARGETING MYCOBACTERIUM TUBERCULOSIS | SRI INTERNATIONAL (US) | 2013-06-13 | — | — | WO | disclosed |
| US-20130150369-A1 | Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis | SRI INTERNATIONAL (US) | 2013-06-13 | — | — | US | disclosed |
| WO-2008059259-A2 | ANTICANCER COMPOUNDS WITH A BENZO ( 1, 2, 4 ) TRIAZIN-3YL-AMINE CORE | SENTINEL ONCOLOGY LIMITED (GB) | 2008-05-22 | — | — | WO | disclosed |
| WO-2008015429-A2 | PHARMACEUTICAL COMPOUNDS | SENTINEL ONCOLOGY LIMITED (GB) | 2008-02-07 | — | — | WO | disclosed |
| US-4368068-A | PRE- AND POSTEMERGENCE HERBICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-01-11 | — | — | US | disclosed |