⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23769278 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL23769238 | 0.80 | ADORA2B (0.33) | — | |
| SCHEMBL23768867 | 0.65 | DPP4 (0.31) | — | |
| SCHEMBL23769248 | 0.65 | DPP4 (0.31) | — | |
| SCHEMBL23769276 | 0.65 | DPP4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL23754084 | 0.64 | DPP4 (0.31) | — | |
| SCHEMBL608714 | 0.52 | ALDH1A1 (0.39) | — | |
| SCHEMBL610355 | 0.51 | — | — | |
| SCHEMBL608242 | 0.51 | GAA (0.41) | — | |
| SCHEMBL817229 | 0.51 | GAA (0.41) | — |
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-2021160718-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-08-19 | — | — | WO | disclosed |