⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL765330 | 0.75 | — | — | |
| SCHEMBL22030800 | 0.74 | NPC1 (0.38) | — | |
| SCHEMBL5279819 | 0.73 | — | — | |
| SCHEMBL5275973 | 0.71 | — | — | |
| SCHEMBL5280866 | 0.71 | — | — | |
| SCHEMBL5279477 | 0.71 | GABRB3 (0.37) | — | |
| SCHEMBL18824041 | 0.71 | NPC1 (0.36) | — | |
| SCHEMBL5276052 | 0.68 | SLC9A1 (0.38) | — | |
| SCHEMBL5282137 | 0.68 | SLC9A1 (0.34) | — | |
| SCHEMBL5276162 | 0.68 | GABRB3 (0.40) | — |
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-2020236825-A2 | MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE | NOVARTIS AG (CH) | 2020-11-26 | — | — | WO | disclosed |