⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19046977 | 0.94 | GRM5 (0.31) | — | |
| SCHEMBL18938451 | 0.90 | USP2 (0.32) | — | |
| SCHEMBL23432506 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL15679583 | 0.84 | CYP2D6 (0.47) | — | |
| SCHEMBL17366265 | 0.83 | GRM5 (0.31) | — | |
| SCHEMBL17461312 | 0.83 | — | — | |
| SCHEMBL18389355 | 0.81 | GRM5 (0.34) | — | |
| SCHEMBL23206636 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL16982332 | 0.80 | — | — | |
| SCHEMBL19264173 | 0.79 | USP2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3863713-B1 | PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2023-01-25 | — | — | EP | disclosed |