⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20134678 | 0.68 | — | — | |
| SCHEMBL12468836 | 0.68 | — | — | |
| SCHEMBL2067649 | 0.65 | — | — | |
| SCHEMBL17295606 | 0.65 | — | — | |
| SCHEMBL2068644 | 0.65 | — | — | |
| SCHEMBL2067621 | 0.61 | — | — | |
| SCHEMBL5846027 | 0.58 | — | — | |
| SCHEMBL446759 | 0.57 | — | — | |
| SCHEMBL1867697 | 0.56 | — | — | |
| SCHEMBL24521641 | 0.55 | — | — |
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-4285955-A | CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-25 | — | — | US | claimed |
| US-4483985-A | ALKALINE HYDROLYSIS OF ESTER GROUP | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-20 | — | — | US | disclosed |
| US-4285955-A | CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-25 | — | — | US | disclosed |