⚠ 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 | |
|---|---|---|---|---|
| Charcoal, Activated SCHEMBL29904853 | 1.00 | — | — | |
| SCHEMBL19840129 | 0.95 | — | — | |
| SCHEMBL167720 | 0.95 | LMNA (0.46) | — | |
| SCHEMBL71 | 0.95 | — | — | |
| SCHEMBL290386 | 0.91 | — | — | |
| Acetone SCHEMBL5542143 | 0.91 | LMNA (0.55) | — | |
| Water SCHEMBL9956155 | 0.91 | — | — | |
| Acetic Acid SCHEMBL6572375 | 0.87 | FFAR3 (0.58) | — | |
| Formaldehyde SCHEMBL29224627 | 0.87 | — | — | |
| Bicarbonate SCHEMBL17786017 | 0.87 | FFAR3 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119101929-A | Aniline molecule modified semiconductor photo-anode, preparation method thereof and application of photo-electro-catalytic glycerol oxidation | 浙江工业大学 | 2024-12-10 | — | — | CN | disclosed |