⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12243889 | 0.80 | — | — | |
| SCHEMBL12278630 | 0.80 | — | — | |
| SCHEMBL43339 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28944200 | 0.78 | — | — | |
| SCHEMBL29061040 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28256329 | 0.76 | FFAR3 (0.39) | — | |
| Acetic Acid SCHEMBL538701 | 0.76 | FFAR3 (0.39) | — | |
| SCHEMBL11927489 | 0.75 | — | — | |
| SCHEMBL30580356 | 0.72 | — | — | |
| SCHEMBL13433788 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7687070-B2 | Reagents for intracellular delivery of macromolecules | Life Technologies Corporation (US) | 2010-03-30 | — | — | US | disclosed |