⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL29287652 | 0.77 | GRIK1 (0.34) | — | |
| SCHEMBL27726493 | 0.76 | GRIK1 (0.32) | — | |
| SCHEMBL5132469 | 0.74 | GRIK1 (0.35) | — | |
| SCHEMBL10921623 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL1078515 | 0.69 | — | — | |
| SCHEMBL28407507 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL28391183 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL5040922 | 0.68 | GRIK1 (0.32) | — | |
| SCHEMBL7170872 | 0.67 | — | — | |
| SCHEMBL449909 | 0.67 | HCAR2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7468414-B2 | Moisture absorptive and desorptive ultrafine particles and a product using said ultrafine particles | JAPAN EXLAN COMPANY LIMITED (JP) | 2008-12-23 | — | — | US | disclosed |
| US-20070185292-A1 | Moisture absorptive and desorptive ultrafine particles and a product using said ultrafine particles | JAPAN EXLAN COMPANY LIMITED (JP) | 2007-08-09 | — | — | US | disclosed |