⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9391366 | 0.88 | — | — | |
| SCHEMBL9390524 | 0.80 | — | — | |
| SCHEMBL9389551 | 0.80 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL9394282 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL9174176 | 0.68 | CACNA1H (0.33) | — | |
| SCHEMBL9519662 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10831914 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL10829260 | 0.65 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL9390531 | 0.65 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL9077201 | 0.64 | KDM4E (0.40) | — |
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-1994018173-A1 | BENZIMIDAZOLESULFONIC ACID DERIVATIVES AS MICROBICIDES | CIBA-GEIGY AG (CH) | 1994-08-18 | — | — | WO | claimed |
| WO-1994018173-A1 | BENZIMIDAZOLESULFONIC ACID DERIVATIVES AS MICROBICIDES | CIBA-GEIGY AG (CH) | 1994-08-18 | — | — | WO | disclosed |