⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25612799 | 0.75 | PNMT (0.30) | — | |
| SCHEMBL25748025 | 0.71 | PNMT (0.32) | — | |
| SCHEMBL25612747 | 0.69 | — | — | |
| SCHEMBL25612788 | 0.62 | PKM (0.32) | — | |
| SCHEMBL25748020 | 0.61 | PNMT (0.35) | — | |
| SCHEMBL18499845 | 0.58 | MAPK14 (0.32) | — | |
| SCHEMBL18499865 | 0.58 | — | — | |
| SCHEMBL12711543 | 0.58 | — | — | |
| SCHEMBL19303387 | 0.57 | NOS3 (0.33) | — | |
| SCHEMBL25612796 | 0.55 | PKM (0.41) | — |
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 |