Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| SCHEMBL506461 | 0.87 | — | — | |
| SCHEMBL11780801 | 0.87 | — | — | |
| SCHEMBL3793375 | 0.87 | — | — | |
| Water SCHEMBL4940131 | 0.75 | — | — | |
| SCHEMBL10764815 | 0.75 | — | — | |
| SCHEMBL4250072 | 0.75 | — | — | |
| Water SCHEMBL18393510 | 0.75 | — | — | |
| SCHEMBL9777914 | 0.75 | — | — | |
| SCHEMBL11622372 | 0.75 | — | — | |
| SCHEMBL3374551 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170107634-A1 | ELECTROCHEMICAL PROCESS FOR THE REDUCTION OF MOLECULAR OXYGEN | COVESTRO DEUTSCHLAND AG (DE) | 2017-04-20 | — | — | US | disclosed |
| US-20110233071-A1 | ELECTROCHEMICAL METHOD FOR REDUCING MOLECULAR OXYGEN | BAYER TECHNOLOGOGY SERVICES GMBH (DE) | 2011-09-29 | — | — | US | disclosed |