⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29497773 | 0.96 | — | — | |
| SCHEMBL30401692 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL29986 | 0.96 | — | — | |
| SCHEMBL8064886 | 0.92 | — | — | |
| Water SCHEMBL479588 | 0.92 | — | — | |
| SCHEMBL25229785 | 0.92 | — | — | |
| Bromide SCHEMBL10484645 | 0.92 | — | — | |
| SCHEMBL6295514 | 0.92 | — | — | |
| SCHEMBL5679314 | 0.92 | — | — | |
| SCHEMBL8062206 | 0.92 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8252485-B2 | Electrocatalyst compositions and processes for making and using same | CABOT CORPORATION (US) | 2012-08-28 | — | — | US | disclosed |
| EP-2122726-A1 | ELECTROCATALYST COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME | Cabot Corporation (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080226958-A1 | ELECTROCATALYST COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME | CABOT CORPORATION (US) | 2008-09-18 | — | — | US | disclosed |
| WO-2008112679-A1 | ELECTROCATALYST COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME | CABOT CORPORATION (US) | 2008-09-18 | — | — | WO | disclosed |