⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21021885 | 0.86 | ALDH1A1 (0.44) | — | |
| SCHEMBL1029142 | 0.86 | ALDH1A1 (0.44) | — | |
| SCHEMBL177030 | 0.86 | — | — | |
| SCHEMBL21574872 | 0.84 | — | — | |
| SCHEMBL17660060 | 0.83 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL1027991 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL20384050 | 0.81 | — | — | |
| SCHEMBL22699300 | 0.81 | CHRNA7 (0.36) | — | |
| SCHEMBL24563159 | 0.77 | — | — | |
| SCHEMBL7699883 | 0.77 | — | — |
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-2020035540-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-02-20 | — | — | WO | disclosed |