⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL234905 | 0.76 | CA5A (0.46) | — | |
| SCHEMBL8096282 | 0.72 | CA5A (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL6054695 | 0.72 | CA5A (0.42) | — | |
| SCHEMBL127294 | 0.72 | — | — | |
| Potassium SCHEMBL8413777 | 0.72 | CA5A (0.42) | — | |
| SCHEMBL16791904 | 0.69 | — | — | |
| Hydroxyamine SCHEMBL2328550 | 0.69 | TSHR (0.43) | — | |
| Methane SCHEMBL2195647 | 0.69 | — | — | |
| SCHEMBL18264409 | 0.69 | CA5A (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27554092 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170305773-A1 | NON-STRIPPING BIOREACTOR FOR BIOLOGICAL SULFIDE OXIDATION FROM WASTEWATERS AND GROUNDWATERS CONTAINING HYDROGEN SULFIDE | UOP LLC | 2017-10-26 | — | — | US | disclosed |
| US-20130052130-A1 | Branched Discreet PEG Constructs | UNIVERSITY OF WASHINGTON (US) | 2013-02-28 | — | — | US | disclosed |
| US-20130052130-A1 | Branched Discreet PEG Constructs | UNIVERSITY OF WASHINGTON (US) | 2013-02-28 | — | — | US | disclosed |