⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6282544 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL8468296 | 0.78 | PDK2 (0.31) | — | |
| SCHEMBL974997 | 0.77 | — | — | |
| SCHEMBL6203845 | 0.76 | CA1 (0.41) | — | |
| SCHEMBL16719360 | 0.76 | TP53 (0.34) | — | |
| SCHEMBL6204663 | 0.76 | IDO1 (0.31) | — | |
| SCHEMBL28122708 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL27585609 | 0.76 | — | — | |
| SCHEMBL10532263 | 0.72 | — | — | |
| SCHEMBL10532572 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4361563-A | CARDIOTONIC, ANTITHROMBOTIC | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-11-30 | — | — | US | claimed |
| US-4831027-A | USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1989-05-16 | — | — | US | disclosed |
| US-4361563-A | CARDIOTONIC, ANTITHROMBOTIC | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-11-30 | — | — | US | disclosed |
| US-4176184-A | CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-11-27 | — | — | US | disclosed |