⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25173 | 0.76 | — | — | |
| SCHEMBL11252417 | 0.73 | — | — | |
| Fluoride SCHEMBL4652779 | 0.72 | — | — | |
| Water SCHEMBL18229925 | 0.72 | — | — | |
| SCHEMBL27682044 | 0.72 | — | — | |
| SCHEMBL28586071 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL8763775 | 0.72 | TP53 (0.38) | — | |
| Water SCHEMBL4085909 | 0.72 | TP53 (0.38) | — | |
| Hydrogen Peroxide SCHEMBL374975 | 0.72 | TP53 (0.47) | — | |
| SCHEMBL10308340 | 0.69 | TP53 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |