⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3885338 | 0.90 | SIGMAR1 (0.38) | — | |
| SCHEMBL3877781 | 0.90 | SIGMAR1 (0.38) | — | |
| SCHEMBL2076620 | 0.90 | CYP1A2 (0.46) | — | |
| SCHEMBL8944658 | 0.90 | — | — | |
| SCHEMBL8390897 | 0.87 | CYP1A2 (0.50) | — | |
| SCHEMBL99022 | 0.87 | CYP1A2 (0.50) | — | |
| SCHEMBL3948569 | 0.84 | ITGB3 (0.39) | — | |
| SCHEMBL98082 | 0.82 | — | — | |
| SCHEMBL97094 | 0.80 | SIGMAR1 (0.50) | — | |
| SCHEMBL7350448 | 0.80 | SIGMAR1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0392317-B1 | Benzimidazoles, drugs containing these compounds and process for their preparation | THOMAE GMBH DR K (DE) | 1996-01-03 | — | — | EP | disclosed |
| EP-0392317-A2 | Benzimidazoles, drugs containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1990-10-17 | — | — | EP | disclosed |