⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13270633 | 0.75 | — | — | |
| SCHEMBL22449648 | 0.70 | — | — | |
| SCHEMBL37987 | 0.69 | ALDH1A1 (1.00) | — | |
| SCHEMBL7940130 | 0.69 | — | — | |
| SCHEMBL526021 | 0.69 | FFAR1 (0.33) | — | |
| SCHEMBL13689323 | 0.67 | — | — | |
| SCHEMBL17506756 | 0.67 | — | — | |
| SCHEMBL28139027 | 0.67 | FFAR1 (0.58) | — | |
| SCHEMBL14861545 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28802926 | 0.66 | ALDH1A1 (0.91) | — |
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-20170095544-A1 | NANOPARTICLE COMPOSITIONS FOR SUSTAINED THERAPY | UTI LIMITED PARTNERSHIP (CA) | 2017-04-06 | — | — | US | disclosed |