⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25613642 | 0.84 | — | — | |
| SCHEMBL25613156 | 0.76 | NOTUM (0.30) | — | |
| SCHEMBL25613643 | 0.73 | — | — | |
| SCHEMBL19303387 | 0.69 | NOS3 (0.33) | — | |
| SCHEMBL25613636 | 0.68 | — | — | |
| SCHEMBL25613645 | 0.67 | — | — | |
| SCHEMBL25614076 | 0.64 | — | — | |
| SCHEMBL12711543 | 0.61 | — | — | |
| SCHEMBL27395264 | 0.60 | NOS3 (0.33) | — | |
| SCHEMBL1823806 | 0.59 | NOS3 (0.39) | — |
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 |