⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23348389 | 0.94 | — | — | |
| SCHEMBL23348147 | 0.92 | ABCG2 (0.33) | — | |
| SCHEMBL26342765 | 0.89 | AHR (0.34) | — | |
| SCHEMBL25732380 | 0.89 | CYP1A1 (0.32) | — | |
| SCHEMBL24000197 | 0.89 | AHR (0.38) | — | |
| SCHEMBL25640611 | 0.88 | MEN1 (0.30) | — | |
| SCHEMBL23348357 | 0.88 | — | — | |
| SCHEMBL23348168 | 0.88 | — | — | |
| SCHEMBL23348193 | 0.88 | — | — | |
| SCHEMBL26342762 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210139445-A1 | Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, Display Device, and Lighting Device | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) | 2021-05-13 | — | — | US | disclosed |