⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21896369 | 0.82 | — | — | |
| SCHEMBL14093959 | 0.80 | CYP1A2 (0.36) | — | |
| SCHEMBL10548437 | 0.76 | SIGMAR1 (0.32) | — | |
| SCHEMBL5471694 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL11065524 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL21102329 | 0.72 | TYMS (0.35) | — | |
| SCHEMBL24736363 | 0.69 | — | — | |
| SCHEMBL5468923 | 0.69 | — | — | |
| SCHEMBL10541900 | 0.69 | — | — | |
| SCHEMBL2642183 | 0.68 | — | — |
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 |