⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1083375 | 0.92 | — | — | |
| SCHEMBL95358 | 0.89 | TSHR (0.63) | — | |
| SCHEMBL7297980 | 0.86 | TSHR (0.68) | — | |
| SCHEMBL96281 | 0.86 | TSHR (0.68) | — | |
| SCHEMBL96135 | 0.86 | TSHR (0.68) | — | |
| SCHEMBL1247661 | 0.85 | TSHR (0.73) | — | |
| SCHEMBL1248078 | 0.82 | TSHR (0.69) | — | |
| SCHEMBL11508173 | 0.82 | TSHR (0.69) | — | |
| SCHEMBL1781797 | 0.82 | TSHR (0.69) | — | |
| SCHEMBL11508516 | 0.82 | TSHR (0.69) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012009715-A2 | NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION | S&T GLOBAL INC. (US) | 2012-01-19 | — | — | WO | disclosed |
| US-4288453-A | A-(1-PHENYL-2,2,2-TRIFLUOROETHOXY (OR -ETHYLTHIO))ALKANOIC ACIDS USEFUL AS ANTICHOLESTEROL AND ANTILIPEMIC AGENTS | SCIENCE UNION ET CIE (FR) | 1981-09-08 | — | — | US | disclosed |