⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21787659 | 0.87 | HRH3 (0.30) | — | |
| SCHEMBL8024030 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL2835152 | 0.77 | DPP4 (0.33) | — | |
| SCHEMBL21787661 | 0.77 | — | — | |
| SCHEMBL8354327 | 0.75 | MAOA (0.32) | — | |
| Hydrochloric Acid SCHEMBL8024182 | 0.74 | — | — | |
| SCHEMBL23025791 | 0.73 | PGK1 (0.32) | — | |
| SCHEMBL2734579 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL4073058 | 0.73 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL20591234 | 0.70 | HTT (0.31) | — |
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-20210246344-A1 | Biological buffers with wide buffering ranges | DALY THOMAS (US) | 2021-08-12 | — | — | US | disclosed |
| US-20200071582-A1 | Biological Buffers with Wide Buffering Ranges | TPAT IP LLC | 2020-03-05 | — | — | US | disclosed |