⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8902843 | 0.76 | SLC6A2 (0.35) | — | |
| SCHEMBL28486993 | 0.72 | CHRM5 (0.31) | — | |
| SCHEMBL3861429 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL26760234 | 0.69 | SLC6A2 (0.33) | — | |
| SCHEMBL6398141 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL361322 | 0.68 | MEN1 (0.35) | — | |
| SCHEMBL21056052 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL326953 | 0.65 | SIGMAR1 (0.39) | — | |
| SCHEMBL27886855 | 0.65 | USP2 (0.36) | — | |
| SCHEMBL2577695 | 0.64 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018144649-A1 | CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME | Arvinas, Inc. (US) | 2018-08-09 | — | — | WO | disclosed |