⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9215472 | 0.98 | — | — | |
| SCHEMBL10600990 | 0.98 | — | — | |
| SCHEMBL240359 | 0.88 | ODC1 (0.33) | — | |
| SCHEMBL17485905 | 0.82 | — | — | |
| SCHEMBL4140731 | 0.82 | — | — | |
| SCHEMBL475957 | 0.81 | NFKB1 (0.35) | — | |
| SCHEMBL13039012 | 0.80 | — | — | |
| SCHEMBL21641957 | 0.80 | — | — | |
| SCHEMBL19286512 | 0.80 | — | — | |
| SCHEMBL15033458 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013028391-A1 | COMPOSITIONS FOR ABSORBING CARBON DIOXIDE, AND RELATED PROCESSES AND SYSTEMS | GENERAL ELECTRIC COMPANY (US) | 2013-02-28 | — | — | WO | disclosed |