⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL503026 | 0.69 | — | — | |
| SCHEMBL7543473 | 0.67 | MEN1 (0.33) | — | |
| Nitric Acid SCHEMBL28128401 | 0.65 | CA5A (0.44) | — | |
| Benzene SCHEMBL2316850 | 0.60 | CA5A (0.73) | — | |
| Benzene SCHEMBL29240573 | 0.60 | CA5A (0.73) | — | |
| Benzene SCHEMBL31173421 | 0.60 | CA5A (0.73) | — | |
| SCHEMBL11047060 | 0.60 | KMT2A (0.32) | — | |
| SCHEMBL313063 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL8068553 | 0.58 | KMT2A (0.36) | — | |
| SCHEMBL28622909 | 0.58 | KMT2A (0.36) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021000067-A1 | CELL-BINDING MOLECULE-TUBULYSIN DERIVATIVE CONJUGATE AND PREPARATION METHOD THEREFOR | 杭州多禧生物科技有限公司 | 2021-01-07 | — | — | WO | claimed |
| EP-0335292-A2 | 2,6-Methano-1,3-benzodiazocines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-10-04 | — | — | EP | claimed |
| CN-109232359-B | Synthesis method of nitramide | 西北大学 | 2021-02-19 | — | — | CN | disclosed |
| WO-2021000067-A1 | CELL-BINDING MOLECULE-TUBULYSIN DERIVATIVE CONJUGATE AND PREPARATION METHOD THEREFOR | 杭州多禧生物科技有限公司 | 2021-01-07 | — | — | WO | disclosed |
| US-8912326-B2 | Process of making gyrase and topoisomerase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-12-16 | — | — | US | disclosed |
| EP-2663556-B1 | PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS | VERTEX PHARMA (US) | 2014-10-15 | — | — | EP | disclosed |
| EP-2663556-A1 | PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2013-11-20 | — | — | EP | disclosed |
| US-20130261305-A1 | PROCESS OF MAKING GYRASE AND TOPOISOMERASE INHIBITORS | SPERO THERAPEUTICS, INC. | 2013-10-03 | — | — | US | disclosed |
| US-8471014-B2 | Process of making gyrase and topoisomerase IV inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-25 | — | — | US | disclosed |
| US-8445678-B2 | 2-quinoxalinol salen compounds and uses thereof | AUBURN UNIVERSITY (US) | 2013-05-21 | — | — | US | disclosed |
| US-20120184742-A1 | PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| WO-2012097274-A1 | PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATION (US) | 2012-07-19 | — | — | WO | disclosed |
| US-20120028362-A1 | 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF | AUBURN UNIVERSITY (US) | 2012-02-02 | — | — | US | disclosed |
| US-20090286968-A1 | 2-Quinoxalinol Salen Compounds and Uses Thereof | AUBURN UNIVERSITY (US) | 2009-11-19 | — | — | US | disclosed |
| EP-0923510-B1 | Method for nitration of aromatic compounds | NORSK HYDRO AS (NO) | 2002-05-22 | — | — | EP | disclosed |
| US-6133448-A | AROMATIC COMPOUND IS ADDED TO A SOLUTION OF DINITROGEN PENTAOXIDE IN AN ORGANIC SOLVENT AND THE PROVIDED REACTION MIXTURE IS THEREAFTER ADDED INTO WATER COMPRISING A NUCLEOPHILE | NORSK HYDRO ASA (NO) | 2000-10-17 | — | — | US | disclosed |