⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21608723 | 0.88 | PKM (0.35) | — | |
| SCHEMBL27395264 | 0.81 | NOS3 (0.33) | — | |
| SCHEMBL19303387 | 0.77 | NOS3 (0.33) | — | |
| SCHEMBL18405840 | 0.75 | PKM (0.31) | — | |
| SCHEMBL25614080 | 0.74 | — | — | |
| SCHEMBL25748022 | 0.72 | — | — | |
| SCHEMBL1823806 | 0.72 | NOS3 (0.39) | — | |
| SCHEMBL18135050 | 0.72 | PKM (0.38) | — | |
| SCHEMBL18405839 | 0.71 | PKM (0.35) | — | |
| SCHEMBL12565235 | 0.70 | NOS3 (0.32) | — |
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-2023100844-A1 | COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT EMPLOYING SAME | 住友化学株式会社 | 2023-06-08 | — | — | WO | disclosed |