⚠ 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL7425593 | 0.92 | CHRM2 (0.38) | — | |
| SCHEMBL7420354 | 0.81 | CHRM2 (0.45) | — | |
| Oxalic Acid SCHEMBL7421064 | 0.76 | TDO2 (0.39) | — | |
| Oxalic Acid SCHEMBL7424310 | 0.74 | CHRM2 (0.53) | — | |
| Oxalic Acid SCHEMBL7417869 | 0.72 | CHRM2 (0.38) | — | |
| SCHEMBL9451907 | 0.67 | RECQL (0.40) | — | |
| SCHEMBL9724689 | 0.67 | CHRM2 (0.58) | — | |
| Hydrochloric Acid SCHEMBL9724640 | 0.66 | CHRM2 (0.56) | — | |
| SCHEMBL8405951 | 0.64 | CHRM2 (0.46) | — | |
| SCHEMBL7419072 | 0.64 | CHRM2 (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 |
|---|---|---|---|---|---|---|---|
| US-5994373-A | COGNITION ACTIVATORS; GASTROINTESTINAL DISORDERS; PSYCHOLOGICAL DISORDERS | NOVO NORDISK A/S NOVO ALLE DK 2880 (DK) | 1999-11-30 | — | — | US | disclosed |