⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10237266 | 1.00 | — | — | |
| SCHEMBL10237309 | 0.92 | — | — | |
| SCHEMBL10237307 | 0.92 | — | — | |
| SCHEMBL10237271 | 0.91 | CYP2C9 (0.70) | — | |
| SCHEMBL10237272 | 0.91 | CYP2C9 (0.70) | — | |
| SCHEMBL7918707 | 0.90 | CYP2C9 (0.68) | — | |
| SCHEMBL7918219 | 0.90 | CYP2C9 (0.68) | — | |
| SCHEMBL717975 | 0.90 | CYP2C9 (0.68) | — | |
| SCHEMBL10237252 | 0.89 | CYP2C9 (0.70) | — | |
| SCHEMBL10237259 | 0.89 | CYP2C9 (0.68) | — |
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-8754100-B2 | Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2014-06-17 | — | — | US | disclosed |
| US-8754100-B2 | Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2014-06-17 | — | — | US | disclosed |
| US-20120053171-A1 | Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors | EISAI R&D MANAGEMENT CO., LTD., (JP) | 2012-03-01 | — | — | US | disclosed |
| US-20120053171-A1 | Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors | EISAI R&D MANAGEMENT CO., LTD., (JP) | 2012-03-01 | — | — | US | disclosed |