⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19337431 | 0.77 | SLC7A5 (0.40) | — | |
| SCHEMBL22605458 | 0.77 | SLC7A5 (0.40) | — | |
| SCHEMBL6889147 | 0.77 | IDO1 (0.30) | — | |
| SCHEMBL6888574 | 0.77 | — | — | |
| SCHEMBL21444825 | 0.74 | — | — | |
| SCHEMBL14942609 | 0.71 | POLB (0.31) | — | |
| SCHEMBL14908378 | 0.71 | — | — | |
| SCHEMBL17012115 | 0.69 | — | — | |
| SCHEMBL14908374 | 0.68 | — | — | |
| SCHEMBL16068371 | 0.67 | — | — |
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-9944675-B2 | Methods for preparing high throughput peptidomimetics, orally bioavailable drugs and compositions containing same | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2018-04-17 | — | — | US | disclosed |