⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4660492 | 0.78 | — | — | |
| SCHEMBL7963136 | 0.76 | — | — | |
| SCHEMBL19227961 | 0.76 | — | — | |
| SCHEMBL24804735 | 0.76 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL28848846 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL2783806 | 0.74 | CYP2D6 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL29172696 | 0.73 | — | — | |
| SCHEMBL14842227 | 0.72 | TP53 (0.33) | — | |
| SCHEMBL21967994 | 0.70 | — | — | |
| SCHEMBL14842171 | 0.70 | SLC7A5 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105753965-A | Conjugate Based Systems For Controlled Drug Delivery | 斯马特塞尔斯公司 | 2016-07-13 | — | — | CN | disclosed |