⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9756471 | 1.00 | — | — | |
| SCHEMBL9756464 | 1.00 | — | — | |
| SCHEMBL16934847 | 0.81 | CA1 (0.35) | — | |
| SCHEMBL17416421 | 0.72 | — | — | |
| SCHEMBL9369012 | 0.72 | — | — | |
| SCHEMBL9065413 | 0.72 | — | — | |
| SCHEMBL5137041 | 0.69 | — | — | |
| SCHEMBL16823373 | 0.69 | — | — | |
| SCHEMBL1994492 | 0.69 | — | — | |
| SCHEMBL13810615 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1664036-B1 | BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY | PFIZER (US) | 2011-12-28 | — | — | EP | claimed |
| EP-0232075-B1 | INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES | ROHM AND HAAS COMPANY (US) | 1991-03-13 | — | — | EP | claimed |