⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19513185 | 1.00 | — | — | |
| SCHEMBL19513184 | 0.91 | HSD11B1 (0.39) | — | |
| SCHEMBL13686060 | 0.89 | — | — | |
| SCHEMBL24090557 | 0.82 | ATM (0.38) | — | |
| SCHEMBL24090560 | 0.82 | — | — | |
| SCHEMBL24090569 | 0.82 | ATM (0.32) | — | |
| SCHEMBL24090561 | 0.80 | GBA1 (0.37) | — | |
| SCHEMBL19513012 | 0.80 | HSD11B1 (0.31) | — | |
| SCHEMBL18844951 | 0.78 | — | — | |
| SCHEMBL24090574 | 0.76 | PIK3CD (0.48) | — |
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-20210380594-A1 | COMPOUND, AND METHOD FOR PRODUCING THE SAME | N.E. CHEMCAT CORPORATION (JP) | 2021-12-09 | — | — | US | disclosed |