⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28527444 | 0.60 | HIF1A (0.43) | — | |
| SCHEMBL28526554 | 0.56 | PLG (0.34) | — | |
| SCHEMBL4530369 | 0.56 | GABRA1 (0.38) | — | |
| SCHEMBL3764762 | 0.56 | — | — | |
| SCHEMBL27514632 | 0.56 | — | — | |
| SCHEMBL14309134 | 0.56 | — | — | |
| SCHEMBL20998850 | 0.55 | SLC18A3 (0.38) | — | |
| SCHEMBL24067526 | 0.54 | SLC18A3 (0.42) | — | |
| SCHEMBL141782 | 0.54 | HIF1A (0.42) | — | |
| SCHEMBL11766777 | 0.54 | HTR2C (0.42) | — |
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-11136434-B2 | Polyamines, synthesis method thereof and use thereof for the selective elimination of H2S from a gaseous effluent comprising CO2 | IFP Energies Nouvelles (FR) | 2021-10-05 | — | — | US | disclosed |
| US-20200148824-A1 | NOVEL POLYAMINES, SYNTHESIS METHOD THEREOF AND USE THEREOF FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 | IFP Energies Nouvelles (FR) | 2020-05-14 | — | — | US | disclosed |