⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22200069 | 0.78 | — | — | |
| SCHEMBL22200068 | 0.76 | NR1H2 (0.31) | — | |
| SCHEMBL22200167 | 0.69 | — | — | |
| SCHEMBL22200097 | 0.68 | — | — | |
| SCHEMBL22200086 | 0.64 | CHRM3 (0.30) | — | |
| SCHEMBL11102174 | 0.58 | — | — | |
| SCHEMBL22200087 | 0.58 | — | — | |
| SCHEMBL22200251 | 0.57 | — | — | |
| SCHEMBL607401 | 0.57 | TSHR (0.35) | — | |
| SCHEMBL11758470 | 0.56 | ALDH1A1 (0.30) | — |
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-20200220222-A1 | NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-07-09 | — | — | US | disclosed |
| US-20160263257-A1 | CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT | THE GENERAL HOSPITAL CORPORATION | 2016-09-15 | — | — | US | disclosed |