⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25068760 | 0.80 | — | — | |
| SCHEMBL18571033 | 0.78 | OPRM1 (0.39) | — | |
| SCHEMBL5944960 | 0.78 | — | — | |
| SCHEMBL20711058 | 0.76 | LMNA (0.39) | — | |
| SCHEMBL20430479 | 0.75 | LMNA (0.50) | — | |
| SCHEMBL19194058 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL28331369 | 0.74 | — | — | |
| SCHEMBL24328830 | 0.74 | BLM (0.46) | — | |
| SCHEMBL27129610 | 0.74 | BLM (0.46) | — | |
| SCHEMBL2462839 | 0.72 | ALDH1A1 (0.32) | — |
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-2018010932-A1 | CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2018-01-18 | — | — | WO | disclosed |