⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18012107 | 0.80 | CRHBP (0.37) | — | |
| SCHEMBL16558558 | 0.79 | CRHBP (0.36) | — | |
| SCHEMBL16558471 | 0.79 | CRHBP (0.36) | — | |
| SCHEMBL22969461 | 0.76 | PDCD1 (0.37) | — | |
| SCHEMBL22969171 | 0.75 | PDCD1 (0.36) | — | |
| SCHEMBL21160323 | 0.74 | BRDT (0.33) | — | |
| SCHEMBL12655424 | 0.74 | — | — | |
| SCHEMBL22969357 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL22969353 | 0.74 | ACHE (0.35) | — | |
| SCHEMBL22969196 | 0.73 | ANPEP (0.36) | — |
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-2021025163-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME | 出光興産株式会社 | 2021-02-11 | — | — | WO | disclosed |