⚠ 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL11033471 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL29385454 | 0.95 | — | — | |
| O-Xylene SCHEMBL10522915 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL772 | 0.95 | — | — | |
| O-Xylene SCHEMBL11034038 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL11035539 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL2854068 | 0.95 | — | — | |
| O-Xylene SCHEMBL8216257 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL170581 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL6898695 | 0.95 | TSHR (1.00) | — |
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-20070082808-A1 | NON-NOBLE METAL CATALYSTS FOR THE OXYGEN REDUCTION REACTION | BDF IP HOLDINGS LTD. (CA) | 2007-04-12 | — | — | US | disclosed |
| US-7125820-B2 | Non-noble metal catalysts for the oxygen reduction reaction | BALLARD POWER SYSTEMS INC. (CA) | 2006-10-24 | — | — | US | disclosed |
| US-20040096728-A1 | Non-noble metal catalysts for the oxygen reduction reaction | BALLARD POWER SYSTEMS INC. (CA) | 2004-05-20 | — | — | US | disclosed |