⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13577515 | 0.83 | — | — | |
| SCHEMBL13661933 | 0.80 | — | — | |
| SCHEMBL20202100 | 0.79 | DPP4 (0.35) | — | |
| SCHEMBL13661918 | 0.74 | — | — | |
| SCHEMBL13661940 | 0.71 | TDP1 (0.36) | — | |
| SCHEMBL13661908 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL16384481 | 0.69 | — | — | |
| SCHEMBL16379299 | 0.67 | HTT (0.30) | — | |
| SCHEMBL19756447 | 0.67 | HTT (0.30) | — | |
| SCHEMBL15107202 | 0.67 | DPP4 (0.39) | — |
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-8039675-B2 | Catalysts | JOHNSON MATTHEY PLC (GB) | 2011-10-18 | — | — | US | disclosed |
| US-20100197976-A1 | CATALYSTS | JOHNSON MATTHEY PLC (GB) | 2010-08-05 | — | — | US | disclosed |
| US-20070066850-A1 | Catalysts | JOHNSON MATTHEY PLC (GB) | 2007-03-22 | — | — | US | disclosed |