Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Hydrogen Peroxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL6266028 | 1.00 | — | — | |
| Hydrogen Peroxide SCHEMBL28475977 | 0.89 | — | — | |
| Bicarbonate SCHEMBL28175980 | 0.76 | — | — | |
| Hydrogen Peroxide SCHEMBL9588281 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL5696295 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL5696297 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL281874 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL3858704 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL9588286 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL11030629 | 0.75 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |
| US-10717704-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2020-07-21 | — | — | US | disclosed |
| CN-108147972-B | Preparation method of vipatavir intermediate and analogue thereof | 成都西岭源药业有限公司 | 2020-07-10 | — | — | CN | disclosed |
| US-20190315680-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2019-10-17 | — | — | US | disclosed |
| US-10308597-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2019-06-04 | — | — | US | disclosed |
| CN-108147972-A | A kind of preparation method of Wei Patawei intermediates and the like | 成都西岭源药业有限公司 | 2018-06-12 | — | — | CN | disclosed |
| EP-3137447-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Rgenix, Inc. (US) | 2017-03-08 | — | — | EP | disclosed |
| US-20170050924-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2017-02-23 | — | — | US | disclosed |
| WO-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | disclosed |
| WO-2015168465-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2015-11-05 | — | — | WO | disclosed |
| CN-101549153-A | Composite and method for self-treating tumor | BAOFA YU (CN) | 2009-10-07 | — | — | CN | disclosed |
| CN-1273146-C | Composition for treating tumor | YU BAOFA (US) | 2006-09-06 | — | — | CN | disclosed |
| CN-1431909-A | Combinations for treating neoplasms | YU BAOFA (US) | 2003-07-23 | — | — | CN | disclosed |