⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17399279 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL632011 | 0.79 | — | — | |
| Bromide SCHEMBL28368955 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL15782717 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL17705693 | 0.72 | — | — | |
| SCHEMBL17705674 | 0.72 | — | — | |
| SCHEMBL15188866 | 0.68 | CA12 (0.33) | — | |
| SCHEMBL15782724 | 0.67 | — | — | |
| SCHEMBL7379246 | 0.66 | ALDH1A1 (0.46) | — | |
| Nitric Acid SCHEMBL29142707 | 0.65 | ALDH1A1 (0.39) | — |
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-9227917-B2 | Amine-containing lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-01-05 | — | — | US | disclosed |