⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3823311 | 0.82 | — | — | |
| SCHEMBL2958765 | 0.68 | — | — | |
| SCHEMBL242605 | 0.67 | — | — | |
| Butane SCHEMBL6324167 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL28979515 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL28979517 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL29135353 | 0.60 | — | — | |
| SCHEMBL29126134 | 0.60 | — | — | |
| SCHEMBL625760 | 0.59 | — | — | |
| SCHEMBL21846549 | 0.59 | — | — |
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 |