⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2911754 | 0.78 | — | — | |
| SCHEMBL18741301 | 0.78 | — | — | |
| SCHEMBL10886655 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL10886660 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL175817 | 0.75 | — | — | |
| SCHEMBL9021248 | 0.75 | — | — | |
| SCHEMBL11973890 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL83045 | 0.73 | — | — | |
| SCHEMBL11748223 | 0.72 | — | — | |
| SCHEMBL9067520 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105130985-B | Phenanthroindolizididerivative pyridine alkaloid quaternary ammonium salt derivatives and its preparation and Antiphytoviral application | 南开大学 | 2017-08-25 | — | — | CN | claimed |
| CN-105130985-B | Phenanthroindolizididerivative pyridine alkaloid quaternary ammonium salt derivatives and its preparation and Antiphytoviral application | 南开大学 | 2017-08-25 | — | — | CN | disclosed |
| EP-0005610-B1 | 1-(HETEROCYCLYLALKYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONES, THEIR PREPARATION, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS BETA-ADRENERGIC RECEPTOR BLOCKERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1982-12-15 | — | — | EP | disclosed |
| US-4181802-A | ADRENERGIC BLOCKING AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-01-01 | — | — | US | disclosed |
| EP-0005610-A2 | 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-11-28 | — | — | EP | disclosed |