⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27963762 | 0.84 | APP (0.44) | — | |
| Methylamine SCHEMBL28044974 | 0.83 | — | — | |
| Boric Acid SCHEMBL29171600 | 0.83 | APP (0.48) | — | |
| SCHEMBL29171599 | 0.83 | APP (0.48) | — | |
| SCHEMBL27980707 | 0.82 | APP (0.43) | — | |
| Formic Acid SCHEMBL27598190 | 0.79 | APP (0.44) | — | |
| Phenol SCHEMBL177885 | 0.77 | BACE1 (0.54) | — | |
| Acetic Acid SCHEMBL1662353 | 0.77 | RARA (0.47) | — | |
| Acetaldehyde SCHEMBL18815520 | 0.77 | CNR2 (0.43) | — | |
| Ethylamine SCHEMBL11810037 | 0.77 | ALOX5 (0.50) | — |
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-104968662-A | Azole benzene derivative | TEIJIN PHARMA LTD | 2015-10-07 | — | — | CN | disclosed |