⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13470065 | 0.72 | PTGS2 (0.40) | — | |
| SCHEMBL10100082 | 0.72 | PTGS2 (0.40) | — | |
| SCHEMBL10028800 | 0.68 | PTGS2 (0.40) | — | |
| SCHEMBL10028797 | 0.66 | PTGS2 (0.39) | — | |
| SCHEMBL18084924 | 0.65 | — | — | |
| SCHEMBL4490123 | 0.64 | PTGS2 (0.40) | — | |
| SCHEMBL25612797 | 0.64 | — | — | |
| SCHEMBL18950092 | 0.62 | — | — | |
| SCHEMBL25612799 | 0.62 | PNMT (0.30) | — | |
| SCHEMBL18084934 | 0.61 | — | — |
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 |