⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31325740 | 0.90 | NOS1 (0.31) | — | |
| SCHEMBL31325760 | 0.90 | NOS1 (0.31) | — | |
| Cyclohexene SCHEMBL9184601 | 0.87 | — | — | |
| SCHEMBL5395365 | 0.74 | — | — | |
| SCHEMBL15750872 | 0.71 | — | — | |
| SCHEMBL1139949 | 0.70 | — | — | |
| SCHEMBL4629485 | 0.70 | — | — | |
| SCHEMBL17254971 | 0.70 | — | — | |
| SCHEMBL3630111 | 0.63 | — | — | |
| SCHEMBL1312654 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2782658-A1 | USE OF CYCLIC AMINES FOR REVERSIBLE ABSORPTION OF CO2 | Büttner, Hermann (DE) | 2014-10-01 | — | — | EP | disclosed |
| WO-2013075697-A1 | USE OF CYCLIC AMINES FOR REVERSIBLE ABSORPTION OF CO2 | BUETTNER HERMANN (DE) | 2013-05-30 | — | — | WO | disclosed |