⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25613394 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL13981421 | 0.84 | ESR1 (0.32) | — | |
| SCHEMBL18683416 | 0.83 | — | — | |
| SCHEMBL14541392 | 0.83 | — | — | |
| SCHEMBL14461265 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL13783221 | 0.80 | PTGES (0.35) | — | |
| SCHEMBL13007052 | 0.80 | ACMSD (0.37) | — | |
| SCHEMBL25733615 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL257176 | 0.80 | ACMSD (0.37) | — | |
| SCHEMBL12957651 | 0.78 | HSD17B1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544984-B1 | BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) | MERCK PATENT GMBH (DE) | 2020-12-23 | — | — | EP | disclosed |