⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20828643 | 0.82 | GAA (0.33) | — | |
| SCHEMBL13760106 | 0.75 | CTSL (0.31) | — | |
| SCHEMBL20828969 | 0.72 | ESR1 (0.33) | — | |
| SCHEMBL20828784 | 0.69 | RIPK1 (0.32) | — | |
| SCHEMBL26802590 | 0.68 | CTSL (0.31) | — | |
| SCHEMBL19160913 | 0.67 | HSD17B10 (0.33) | — | |
| SCHEMBL12844610 | 0.66 | CTSL (0.40) | — | |
| SCHEMBL21280285 | 0.66 | HMGCR (0.32) | — | |
| SCHEMBL22011795 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL17719291 | 0.64 | CTSL (0.34) | — |
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-2019052973-A1 | DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-03-21 | — | — | WO | disclosed |