⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL993902 | 0.80 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23064167 | 0.77 | — | — | |
| SCHEMBL3697924 | 0.77 | — | — | |
| SCHEMBL23064143 | 0.77 | — | — | |
| SCHEMBL23064135 | 0.77 | — | — | |
| SCHEMBL23064168 | 0.77 | — | — | |
| SCHEMBL2768372 | 0.77 | — | — | |
| SCHEMBL23064132 | 0.74 | — | — | |
| SCHEMBL29204384 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL11351676 | 0.72 | SMN1; SMN2 (0.30) | — |
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-2023079136-A1 | MATERIAL AND METHOD FOR PERFORMING A SEPARATION BASED ON BORON CLUSTERS | MERCK PATENT GMBH (DE) | 2023-05-11 | — | — | WO | disclosed |