⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22166733 | 0.84 | MEN1 (0.36) | — | |
| SCHEMBL22049332 | 0.76 | SIGMAR1 (0.35) | — | |
| SCHEMBL23099984 | 0.72 | MEN1 (0.40) | — | |
| SCHEMBL13365580 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL19444009 | 0.71 | ESR1 (0.32) | — | |
| SCHEMBL17636176 | 0.71 | INSR (0.33) | — | |
| SCHEMBL13356901 | 0.71 | RELA (0.39) | — | |
| SCHEMBL13671001 | 0.71 | RELA (0.39) | — | |
| SCHEMBL13849922 | 0.70 | — | — | |
| SCHEMBL13862450 | 0.70 | — | — |
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-3174115-B1 | CHARGE TRANSPORT MATERIAL | NISSAN CHEMICAL CORP (JP) | 2020-05-20 | — | — | EP | disclosed |