⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4545250 | 0.77 | CA1 (0.31) | — | |
| SCHEMBL3808530 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL4545252 | 0.70 | — | — | |
| SCHEMBL17500721 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL4545244 | 0.66 | INPP5A (0.44) | — | |
| SCHEMBL777670 | 0.65 | CA1 (0.39) | — | |
| SCHEMBL11972629 | 0.63 | CA1 (0.34) | — | |
| SCHEMBL12376997 | 0.61 | NOS3 (0.30) | — | |
| SCHEMBL4545253 | 0.60 | KDM4E (0.37) | — | |
| SCHEMBL28128349 | 0.60 | — | — |
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-8168349-B2 | Fuel cell-purpose electrolyte material and production method therefor | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2012-05-01 | — | — | US | disclosed |
| US-20090136819-A1 | Fuel Cell-Purpose Electrolyte Material and Production Method Therefor | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2009-05-28 | — | — | US | disclosed |