⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4585237 | 0.80 | GABRR1 (0.46) | — | |
| SCHEMBL4585236 | 0.80 | GABRR1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL27633015 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL27931516 | 0.79 | GABRR1 (0.41) | — | |
| SCHEMBL10927726 | 0.78 | — | — | |
| SCHEMBL1302432 | 0.78 | — | — | |
| SCHEMBL17962643 | 0.78 | — | — | |
| SCHEMBL6176753 | 0.78 | — | — | |
| SCHEMBL8674827 | 0.77 | — | — | |
| SCHEMBL2536422 | 0.76 | — | — |
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-4929754-A | CARDIOVASCULAR DISORDERS, ANTICOAGULANTS, ANTITUMOR AGENTS | DR. KARL THOMAE GMBH (DE) | 1990-05-29 | — | — | US | disclosed |
| US-4820705-A | ANTITUMOR, CARDIOVASCULR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1989-04-11 | — | — | US | disclosed |
| EP-0253321-A2 | Benzenesulfonamido-indanyl-compounds, medicines containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-01-20 | — | — | EP | disclosed |