⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5470764 | 0.82 | — | — | |
| SCHEMBL5079676 | 0.78 | — | — | |
| SCHEMBL4162719 | 0.78 | — | — | |
| SCHEMBL6975646 | 0.74 | TSHR (0.54) | — | |
| SCHEMBL9445646 | 0.74 | — | — | |
| SCHEMBL8767066 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL509714 | 0.73 | — | — | |
| SCHEMBL8767061 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL16922278 | 0.71 | — | — | |
| SCHEMBL42883 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280033-B1 | DICYCLOPENTADIENE METATHESIS POLYMERISATION CATALYST | LTD LIABILITY COMPANY UNITED RES AND DEV CT (RU) | 2014-03-12 | — | — | EP | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0596899-B1 | NEW MIXTURES OF HERBICIDES AND ANTIDOTES | HOECHST SCHERING AGREVO GMBH (DE) | 1995-04-26 | — | — | EP | disclosed |