⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4373736 | 0.81 | ABCB11 (0.30) | — | |
| SCHEMBL4883229 | 0.66 | — | — | |
| SCHEMBL30396258 | 0.65 | — | — | |
| SCHEMBL5032549 | 0.62 | — | — | |
| SCHEMBL28757557 | 0.59 | — | — | |
| SCHEMBL3454340 | 0.59 | — | — | |
| SCHEMBL3340727 | 0.59 | — | — | |
| SCHEMBL11867634 | 0.57 | TAS2R38 (0.41) | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.57 | TSHR (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005037847-A1 | TANTALUM AMIDE COMPLEXES FOR DEPOSITING TANTALUM-CONTAINING FILMS, AND METHOD OF MAKING SAME | ADVANCED TECHNOLOGY MATERIALS, INC. (US) | 2005-04-28 | — | — | WO | claimed |