⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27167201 | 0.93 | — | — | |
| SCHEMBL18940903 | 0.93 | — | — | |
| SCHEMBL15164376 | 0.91 | DNM1 (0.37) | — | |
| SCHEMBL17343182 | 0.89 | — | — | |
| SCHEMBL126890 | 0.87 | NFKB1 (0.33) | — | |
| SCHEMBL15170690 | 0.86 | — | — | |
| SCHEMBL13038075 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL23577300 | 0.84 | NFKB1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8406945 | 0.84 | DNM1 (0.33) | — | |
| Putrescine SCHEMBL6283577 | 0.84 | NFKB1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2623180-A1 | Systems and methods for capturing carbon dioxide | General Electric Company (US) | 2013-08-07 | — | — | EP | disclosed |
| US-20130052109-A1 | COMPOSITIONS FOR ABSORBING CARBON DIOXIDE, AND RELATED PROCESSES AND SYSTEMS | GENERAL ELECTRIC COMPANY (US) | 2013-02-28 | — | — | US | disclosed |
| US-20130052109-A1 | COMPOSITIONS FOR ABSORBING CARBON DIOXIDE, AND RELATED PROCESSES AND SYSTEMS | GENERAL ELECTRIC COMPANY (US) | 2013-02-28 | — | — | US | disclosed |