⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8343366 | 0.84 | PLA2G1B (0.35) | — | |
| SCHEMBL240756 | 0.79 | — | — | |
| SCHEMBL11201242 | 0.77 | — | — | |
| SCHEMBL63562 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL9255640 | 0.75 | PLA2G1B (0.41) | — | |
| SCHEMBL9261695 | 0.75 | PLA2G1B (0.41) | — | |
| SCHEMBL8349192 | 0.75 | PLA2G1B (0.41) | — | |
| SCHEMBL9259109 | 0.75 | PLA2G1B (0.41) | — | |
| SCHEMBL9806038 | 0.72 | — | — | |
| SCHEMBL7711016 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9233338-B2 | Composition for treating acid gas | NALCO COMPANY (US) | 2016-01-12 | — | — | US | disclosed |
| US-20140138578-A1 | COMPOSITION FOR TREATING ACID GAS | APERGY ESP SYSTEMS, LLC | 2014-05-22 | — | — | US | disclosed |
| US-8318114-B2 | Composition for treating acid gas | NALCO COMPANY | 2012-11-27 | — | — | US | disclosed |
| US-20110256043-A1 | COMPOSITION FOR TREATING ACID GAS | PCS FERGUSON, INC. | 2011-10-20 | — | — | US | disclosed |