⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17169692 | 0.72 | LMNA (0.34) | — | |
| SCHEMBL17169700 | 0.66 | TSHR (0.51) | — | |
| SCHEMBL20128651 | 0.65 | — | — | |
| SCHEMBL17197929 | 0.61 | ALDH1A1 (0.55) | — | |
| SCHEMBL20128663 | 0.59 | ADAM17 (0.46) | — | |
| SCHEMBL20076190 | 0.55 | CA12 (0.30) | — | |
| SCHEMBL17169707 | 0.55 | ALDH1A1 (0.33) | — | |
| SCHEMBL17169705 | 0.55 | CDC25B (0.36) | — | |
| SCHEMBL17169694 | 0.53 | NPSR1 (0.41) | — | |
| SCHEMBL17162092 | 0.52 | CRBN (0.50) | — |
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-20200155690-A1 | CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME | ARVINAS OPERATIONS, INC. | 2020-05-21 | — | — | US | disclosed |