⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7077740 | 0.85 | — | — | |
| SCHEMBL7071867 | 0.80 | — | — | |
| SCHEMBL7071882 | 0.74 | — | — | |
| SCHEMBL7073928 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL7076405 | 0.67 | — | — | |
| SCHEMBL7074038 | 0.67 | TDP1 (0.32) | — | |
| SCHEMBL172020 | 0.65 | CES2 (0.32) | — | |
| SCHEMBL7074040 | 0.65 | TDP1 (0.31) | — | |
| SCHEMBL332507 | 0.56 | — | — | |
| SCHEMBL10312483 | 0.54 | CYP2C19 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030096172-A1 | Hologram recording material composition and hologram recording medium | DAISO CO., LTD. (JP) | 2003-05-22 | — | — | US | disclosed |