⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4252733 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL516449 | 0.74 | CYP3A4 (0.48) | — | |
| SCHEMBL7569203 | 0.69 | — | — | |
| SCHEMBL9547219 | 0.69 | MCL1 (0.39) | — | |
| SCHEMBL6743073 | 0.69 | GABRR1 (0.33) | — | |
| SCHEMBL2918370 | 0.67 | — | — | |
| SCHEMBL27491114 | 0.66 | — | — | |
| SCHEMBL25408982 | 0.65 | TSHR (0.48) | — | |
| SCHEMBL4935011 | 0.65 | CPT2 (0.39) | — | |
| Acetamide SCHEMBL8445429 | 0.63 | LMNA (0.67) | — |
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-2008044099-A1 | CHARGE TRANSFER COMPLEXES IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASES | GHISALBERTI CARLO (BR) | 2008-04-17 | — | — | WO | claimed |