⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10269978 | 0.84 | — | — | |
| SCHEMBL7440315 | 0.75 | EPHX1 (0.39) | — | |
| SCHEMBL17040106 | 0.72 | PHGDH (0.33) | — | |
| SCHEMBL9802627 | 0.72 | EPHX1 (0.38) | — | |
| SCHEMBL8976389 | 0.71 | EPHX1 (0.35) | — | |
| SCHEMBL19710662 | 0.71 | — | — | |
| SCHEMBL87744 | 0.71 | — | — | |
| SCHEMBL1145461 | 0.71 | CYP1A2 (0.40) | — | |
| SCHEMBL8087202 | 0.71 | — | — | |
| SCHEMBL1145459 | 0.71 | EPHX1 (0.36) | — |
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-2020254989-A1 | CYCLOALKYL AND HETEROCYCLOALKYL BENZISOXAZOLE SULFONAMIDE DERIVATIVES | PFIZER INC. (US) | 2020-12-24 | — | — | WO | disclosed |