⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27572186 | 1.00 | TSHR (0.60) | — | |
| SCHEMBL28772239 | 1.00 | TSHR (0.60) | — | |
| SCHEMBL4980934 | 0.90 | — | — | |
| SCHEMBL1489327 | 0.83 | HIF1A (0.75) | — | |
| SCHEMBL17369100 | 0.83 | HIF1A (0.75) | — | |
| SCHEMBL14337652 | 0.83 | HIF1A (0.75) | — | |
| SCHEMBL9421489 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL9670647 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL2153965 | 0.83 | HIF1A (0.75) | — | |
| SCHEMBL3227000 | 0.83 | HIF1A (0.75) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3265430-A1 | PROCESS FOR PRODUCING CRYSTALLINE TANTALUM OXIDE PARTICLES | BASF SE (DE) | 2018-01-10 | — | — | EP | disclosed |
| WO-2008043804-A1 | FLUOROPOLYMER COMPOSITION | SOLVAY SOLEXIS S.P.A. (IT) | 2008-04-17 | — | — | WO | disclosed |