⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1179177 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL8089966 | 0.82 | — | — | |
| SCHEMBL30135586 | 0.71 | — | — | |
| SCHEMBL10773596 | 0.71 | — | — | |
| SCHEMBL29889134 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28997679 | 0.71 | — | — | |
| SCHEMBL29548483 | 0.71 | — | — | |
| Benzene SCHEMBL810479 | 0.71 | — | — | |
| SCHEMBL6559802 | 0.71 | — | — | |
| SCHEMBL23906960 | 0.50 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6863781-B2 | Process for photocatalysis and two-electron mixed-valence complexes | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2005-03-08 | — | — | US | disclosed |
| US-20030201161-A1 | Process for photocatalysis and two-electron mixed-valence complexes | NATIONAL SCIENCE FOUNDATION | 2003-10-30 | — | — | US | disclosed |
| WO-2003076073-A1 | PROCESS FOR THE PHOTOCATALYTIC PRODUCTION OF HYDROGEN FROM PROTIC SOLUTIONS USING TWO-ELECTRON MIXED-VALANCE BINUCLEAR COMPLEXES AND SUCH COMPLEXES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2003-09-18 | — | — | WO | disclosed |