⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2541950 | 0.97 | — | — | |
| SCHEMBL3905928 | 0.90 | — | — | |
| SCHEMBL11408895 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL22352622 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL1263892 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL29054777 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL5833371 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL410452 | 0.81 | — | — | |
| SCHEMBL189930 | 0.81 | ALDH1A1 (0.74) | — | |
| SCHEMBL315271 | 0.81 | ALDH1A1 (0.74) | — |
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-113214301-B | Fluoroboropyrrole derivatives with cell membrane labeling function and used for monomolecular positioning super-resolution imaging and monomolecular tracking and application thereof | 大连理工大学 | 2022-03-29 | — | — | CN | disclosed |
| CN-113214301-A | Fluoroboropyrrole derivatives with cell membrane labeling function and used for monomolecular positioning super-resolution imaging and monomolecular tracking and application thereof | 大连理工大学 | 2021-08-06 | — | — | CN | disclosed |