⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2589443 | 0.61 | — | — | |
| SCHEMBL529582 | 0.60 | — | — | |
| SCHEMBL5035424 | 0.58 | — | — | |
| SCHEMBL9840810 | 0.55 | — | — | |
| SCHEMBL19655783 | 0.55 | — | — | |
| SCHEMBL3389211 | 0.54 | — | — | |
| SCHEMBL987745 | 0.54 | — | — | |
| SCHEMBL9506482 | 0.54 | — | — | |
| SCHEMBL4408605 | 0.54 | — | — | |
| SCHEMBL7784042 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0250179-A2 | BCD tricyclic ergoline part-structure analogues | ELI LILLY AND COMPANY (US) | 1987-12-23 | — | — | EP | claimed |
| US-5134143-A | Dopamine Agonists | ELI LILLY AND COMPANY (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977160-A | DOPAMINE AGONISTS; PARKINSON*S DISEASE | ELI LILLY AND COMPANY (US) | 1990-12-11 | — | — | US | disclosed |
| US-4826986-A | DOPAMINE AGONISTS | ELI LILLY AND COMPANY (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0250179-A2 | BCD tricyclic ergoline part-structure analogues | ELI LILLY AND COMPANY (US) | 1987-12-23 | — | — | EP | disclosed |