⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14597208 | 0.88 | — | — | |
| SCHEMBL14627858 | 0.88 | — | — | |
| SCHEMBL18365336 | 0.81 | — | — | |
| SCHEMBL14452143 | 0.80 | POLB (0.33) | — | |
| SCHEMBL14470094 | 0.80 | POLB (0.33) | — | |
| SCHEMBL18856015 | 0.78 | — | — | |
| SCHEMBL18503779 | 0.73 | SLC16A3 (0.31) | — | |
| SCHEMBL22126425 | 0.68 | — | — | |
| SCHEMBL13380637 | 0.66 | PDK2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1076476 | 0.66 | — | — |
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-20170143852-A1 | LIBRARY OF PH RESPONSIVE POLYMERS AND NANOPROBES THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2017-05-25 | — | — | US | disclosed |