⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28832672 | 0.96 | ACHE (0.79) | — | |
| Toluene SCHEMBL27965308 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL28760923 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL27482738 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL11878868 | 0.96 | — | — | |
| Toluene SCHEMBL6746582 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL628172 | 0.96 | — | — | |
| Toluene SCHEMBL282478 | 0.96 | — | — | |
| Toluene SCHEMBL15009 | 0.96 | — | — | |
| Toluene SCHEMBL28249699 | 0.96 | ACHE (0.92) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115386364-B | Preparation method of blue-light perovskite quantum dot | 天津大学 | 2023-09-29 | — | — | CN | disclosed |
| CN-115386364-A | Preparation method of blue-light perovskite quantum dots | 天津大学 | 2022-11-25 | — | — | CN | disclosed |