⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21703988 | 0.86 | — | — | |
| SCHEMBL16064389 | 0.82 | CHRNA7 (0.31) | — | |
| SCHEMBL21574872 | 0.75 | — | — | |
| SCHEMBL21746437 | 0.73 | — | — | |
| SCHEMBL24801877 | 0.71 | — | — | |
| SCHEMBL21020955 | 0.71 | — | — | |
| SCHEMBL24563159 | 0.69 | — | — | |
| SCHEMBL21746451 | 0.69 | — | — | |
| SCHEMBL24801868 | 0.69 | — | — | |
| SCHEMBL20731976 | 0.69 | — | — |
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-2022090481-A1 | SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2020035540-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-02-20 | — | — | WO | disclosed |