⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29494397 | 0.93 | CYP2C19 (0.53) | — | |
| SCHEMBL29494262 | 0.90 | CYP2C19 (0.49) | — | |
| SCHEMBL29494451 | 0.90 | — | — | |
| Trifluoroacetic Acid SCHEMBL29494443 | 0.88 | CYP2C19 (0.47) | — | |
| SCHEMBL29494410 | 0.87 | — | — | |
| SCHEMBL29494384 | 0.86 | DRD4 (0.56) | — | |
| Trifluoroacetic Acid SCHEMBL29494362 | 0.86 | — | — | |
| Trifluoroacetic Acid SCHEMBL29494370 | 0.85 | — | — | |
| SCHEMBL24731381 | 0.84 | — | — | |
| SCHEMBL29138187 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022070048-A1 | NOVEL AMIDE DERIVATIVES | CADILA HEALTHCARE LIMITED (IN) | 2022-04-07 | — | — | WO | claimed |
| WO-2022070048-A1 | NOVEL AMIDE DERIVATIVES | CADILA HEALTHCARE LIMITED (IN) | 2022-04-07 | — | — | WO | disclosed |