⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28254951 | 0.96 | — | — | |
| SCHEMBL27258796 | 0.96 | — | — | |
| Water SCHEMBL20599797 | 0.92 | — | — | |
| SCHEMBL29272736 | 0.92 | — | — | |
| SCHEMBL29049268 | 0.92 | — | — | |
| SCHEMBL28242524 | 0.88 | — | — | |
| SCHEMBL28628616 | 0.88 | — | — | |
| SCHEMBL28204101 | 0.88 | — | — | |
| SCHEMBL28855306 | 0.88 | — | — | |
| SCHEMBL28644659 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107640754-A | Novel light-emitting crystalline material Na4TaP3O12And preparation method thereof performance and purposes | 河南理工大学 | 2018-01-30 | — | — | CN | claimed |
| CN-107640754-A | Novel light-emitting crystalline material Na4TaP3O12And preparation method thereof performance and purposes | 河南理工大学 | 2018-01-30 | — | — | CN | disclosed |
| CN-107640754-A | Novel light-emitting crystalline material Na4TaP3O12And preparation method thereof performance and purposes | 河南理工大学 | 2018-01-30 | — | — | CN | disclosed |