⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL17468475 | 0.94 | — | — | |
| SCHEMBL9717620 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL37127 | 0.71 | — | — | |
| SCHEMBL5136365 | 0.69 | — | — | |
| SCHEMBL8191543 | 0.67 | — | — | |
| SCHEMBL8196393 | 0.67 | — | — | |
| SCHEMBL8193110 | 0.67 | — | — | |
| SCHEMBL8197600 | 0.67 | — | — | |
| SCHEMBL8181515 | 0.67 | — | — | |
| SCHEMBL8192044 | 0.67 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9249166-B1 | Delaminated sodium nonatitanate and a method for producing delaminated sodium nonatitanate | SANDIA CORPORATION (US) | 2016-02-02 | — | — | US | claimed |
| US-9249166-B1 | Delaminated sodium nonatitanate and a method for producing delaminated sodium nonatitanate | SANDIA CORPORATION (US) | 2016-02-02 | — | — | US | disclosed |