⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4494688 | 0.77 | — | — | |
| SCHEMBL21592403 | 0.76 | — | — | |
| SCHEMBL21592405 | 0.73 | — | — | |
| SCHEMBL12331504 | 0.73 | CNR1 (0.33) | — | |
| SCHEMBL12331472 | 0.70 | GBA1 (0.36) | — | |
| SCHEMBL12331476 | 0.70 | — | — | |
| SCHEMBL21592380 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL12331028 | 0.67 | PDK1 (0.36) | — | |
| SCHEMBL12331473 | 0.65 | KEAP1 (0.42) | — | |
| SCHEMBL20628085 | 0.65 | HTT (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019238886-A1 | BIFUNCTIONAL MOLECULES FOR TARGETING USP14 | UNIVERSITY OF DUNDEE (GB) | 2019-12-19 | — | — | WO | disclosed |
| WO-2019238816-A1 | BIFUNCTIONAL MOLECULES FOR TARGETING UCHL5 | UNIVERSITY OF DUNDEE (GB) | 2019-12-19 | — | — | WO | disclosed |