⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276457 | 0.83 | — | — | |
| SCHEMBL29144599 | 0.79 | CACNA2D1 (0.39) | — | |
| SCHEMBL8012345 | 0.77 | CA1 (0.30) | — | |
| SCHEMBL7312253 | 0.77 | — | — | |
| SCHEMBL269289 | 0.77 | — | — | |
| SCHEMBL1579394 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL8390426 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL28363440 | 0.76 | MAPK1 (0.32) | — | |
| SCHEMBL11758767 | 0.75 | — | — | |
| SCHEMBL9218069 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020128208-A1 | Nonpeptide agonists and antagonists of vasopressin receptors | EMORY UNIVERSITY | 2002-09-12 | — | — | US | disclosed |
| WO-2002047679-A2 | NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS | EMORY UNIVERSITY (US) | 2002-06-20 | — | — | WO | disclosed |
| US-5614519-A | (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists | KARL THOMAE GMBH (DE) | 1997-03-25 | — | — | US | disclosed |
| US-5602127-A | ADMINISTERING TO TREAT HYPERTENSION | KARL THOMAE GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5594003-A | HYPOTENSIVE AGENTS | DR. KARL THOMAE GMBH (DE) | 1997-01-14 | — | — | US | disclosed |
| US-5591762-A | HYPOTENSIVE AGENTS | DR. KARL THOMAE GMBH (DE) | 1997-01-07 | — | — | US | disclosed |
| EP-0502314-A1 | Benzimidazol, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-09-09 | — | — | EP | disclosed |