⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27972666 | 0.82 | — | — | |
| SCHEMBL27972432 | 0.82 | — | — | |
| SCHEMBL16878303 | 0.82 | — | — | |
| SCHEMBL21896368 | 0.80 | — | — | |
| SCHEMBL16877592 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL29317582 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL8668334 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL16878723 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL9451625 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL21101537 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3509117-A1 | PHOTOELECTRIC CONVERSION ELEMENT, SOLAR BATTERY, METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT, AND SURFACE TREATMENT AGENT FOR PEROVSKITE-TYPE CRYSTAL FILM | FUJIFILM Corporation (JP) | 2019-07-10 | — | — | EP | disclosed |