⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL101280 | 0.83 | — | — | |
| Phosphine SCHEMBL28626874 | 0.80 | — | — | |
| SCHEMBL28491261 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL7916448 | 0.80 | — | — | |
| SCHEMBL11973891 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL3627376 | 0.78 | ALDH1A1 (0.35) | — | |
| Ethyne SCHEMBL7258726 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL8807181 | 0.75 | — | — | |
| Benzene SCHEMBL6429767 | 0.75 | LMNA (0.37) | — | |
| SCHEMBL11025503 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0133098-B1 | SYNERGISTIN DERIVATIVES AND THEIR PREPARATION | RHONE-POULENC SANTE (FR) | 1987-01-14 | — | — | EP | claimed |
| 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 |