⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4433197 | 0.84 | GAA (0.34) | — | |
| SCHEMBL1150230 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL13599141 | 0.76 | GAA (0.32) | — | |
| SCHEMBL3612808 | 0.69 | ADORA3 (0.32) | — | |
| SCHEMBL50095 | 0.69 | — | — | |
| SCHEMBL3609810 | 0.68 | — | — | |
| SCHEMBL18065398 | 0.67 | — | — | |
| SCHEMBL20720478 | 0.67 | EPHX1 (0.31) | — | |
| SCHEMBL11173948 | 0.67 | — | — | |
| SCHEMBL1150064 | 0.67 | CHRM2 (0.34) | — |
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-8808655-B2 | Bifunctional active sites for adsorption of NOx | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-08-19 | — | — | US | disclosed |
| US-8703083-B2 | Bifunctional active sites for adsorption of NOx | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-04-22 | — | — | US | disclosed |
| US-20090308252-A1 | BIFUNCTIONAL ACTIVE SITES FOR ADSORPTION OF NOx | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-12-17 | — | — | US | disclosed |
| US-20090028768-A1 | BIFUNCTIONAL ACTIVE SITES FOR ADSORPTION OF NOx | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-01-29 | — | — | US | disclosed |