⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28372565 | 0.78 | GAA (0.30) | — | |
| SCHEMBL5159548 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL5690482 | 0.74 | — | — | |
| SCHEMBL16194290 | 0.74 | HTR2A (0.37) | — | |
| SCHEMBL30897428 | 0.73 | GAA (0.32) | — | |
| SCHEMBL4885179 | 0.72 | PNMT (0.34) | — | |
| SCHEMBL19975247 | 0.72 | — | — | |
| SCHEMBL11629152 | 0.70 | KDM1A (0.33) | — | |
| SCHEMBL10429571 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL5701610 | 0.69 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000041798-A1 | PROCESS FOR THE BENIGN DIRECT FIXATION AND CONVERSION OF NITROGEN OXIDES | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2000-07-20 | — | — | WO | disclosed |
| US-6068823-A | Process for the benign direct fixation and conversion of nitrogen oxides | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2000-05-30 | — | — | US | disclosed |