⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27364055 | 0.94 | CYP1A1 (0.30) | — | |
| SCHEMBL27364113 | 0.91 | — | — | |
| SCHEMBL27363904 | 0.87 | CYP1A1 (0.30) | — | |
| SCHEMBL27363924 | 0.87 | CYP1A1 (0.30) | — | |
| SCHEMBL27364078 | 0.86 | — | — | |
| SCHEMBL27364112 | 0.85 | — | — | |
| SCHEMBL27364084 | 0.85 | — | — | |
| SCHEMBL27364155 | 0.84 | — | — | |
| SCHEMBL27363915 | 0.83 | SIRT2 (0.30) | — | |
| SCHEMBL27364109 | 0.83 | MEN1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240215277-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2024-06-27 | — | — | US | disclosed |
| US-20240215277-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2024-06-27 | — | — | US | disclosed |