⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21787592 | 0.90 | — | — | |
| SCHEMBL21787528 | 0.83 | APAF1 (0.36) | — | |
| SCHEMBL21787596 | 0.77 | DPP4 (0.32) | — | |
| SCHEMBL21787597 | 0.77 | — | — | |
| SCHEMBL21093333 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL12228330 | 0.72 | APAF1 (0.39) | — | |
| SCHEMBL116946 | 0.71 | RAB9A (0.36) | — | |
| SCHEMBL21787659 | 0.69 | HRH3 (0.30) | — | |
| SCHEMBL23373778 | 0.68 | RAB9A (0.34) | — | |
| SCHEMBL14660623 | 0.68 | RAB9A (0.34) | — |
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 |