⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20348783 | 0.94 | — | — | |
| SCHEMBL20354593 | 0.87 | CCR1 (0.30) | — | |
| SCHEMBL20354591 | 0.84 | CCR1 (0.32) | — | |
| SCHEMBL20354538 | 0.82 | — | — | |
| SCHEMBL20348787 | 0.81 | — | — | |
| SCHEMBL20348790 | 0.81 | GABRP (0.30) | — | |
| SCHEMBL20348789 | 0.79 | — | — | |
| SCHEMBL20348803 | 0.79 | — | — | |
| SCHEMBL20354660 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL20348784 | 0.70 | CCR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180185814-A1 | NANOSTRUCTURED COMPOSITES FOR GAS SEPARATION AND STORAGE | UNIV CALIFORNIA (US) | 2018-07-05 | — | — | US | disclosed |