⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1127413 | 0.95 | NOS3 (0.32) | — | |
| SCHEMBL3844302 | 0.95 | NOS3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL337400 | 0.92 | NOS3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2807165 | 0.92 | NOS3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL641826 | 0.92 | NOS3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL337401 | 0.92 | NOS3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL10593578 | 0.92 | NOS3 (0.31) | — | |
| Sulfuric Acid SCHEMBL1670999 | 0.84 | KDM4E (0.39) | — | |
| SCHEMBL19436234 | 0.83 | — | — | |
| SCHEMBL6231661 | 0.83 | — | — |
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-7846983-B2 | Proton conducting electrolyte membrane for use in high temperatures and the use thereof in fuel cells | BASF FUEL CELL GMBH (DE) | 2010-12-07 | — | — | US | disclosed |
| US-20050084727-A1 | Proton conducting electrolyte membrane for use in high temperatures and the use thereof in fuel cells | BASF FUEL CELL GMBH (DE) | 2005-04-21 | — | — | US | disclosed |