⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9965028 | 0.86 | PIK3CD (0.33) | — | |
| SCHEMBL7056026 | 0.81 | — | — | |
| SCHEMBL23354773 | 0.78 | — | — | |
| SCHEMBL22941073 | 0.78 | PIK3CD (0.36) | — | |
| SCHEMBL22751131 | 0.77 | SHBG (0.31) | — | |
| Hydrochloric Acid SCHEMBL14763855 | 0.77 | KDM4E (0.52) | — | |
| SCHEMBL761699 | 0.76 | — | — | |
| SCHEMBL24707652 | 0.76 | — | — | |
| SCHEMBL22843150 | 0.76 | — | — | |
| SCHEMBL13381072 | 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-20120157440-A1 | NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS | PFIZER INC | 2012-06-21 | — | — | US | disclosed |
| US-4704395-A | 5-HYDROXYTRYPTAMINE; HYPOTENSIVES | ELI LILLY AND COMPANY (US) | 1987-11-03 | — | — | US | disclosed |
| EP-0228876-A2 | Esters of dihydrolysergic acid and related compounds | ELI LILLY AND COMPANY (US) | 1987-07-15 | — | — | EP | disclosed |