⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20176759 | 0.90 | — | — | |
| SCHEMBL19758058 | 0.82 | HSF1 (0.38) | — | |
| SCHEMBL14725895 | 0.79 | HSF1 (0.39) | — | |
| SCHEMBL20176771 | 0.77 | — | — | |
| SCHEMBL19758015 | 0.72 | HSF1 (0.32) | — | |
| SCHEMBL19758026 | 0.71 | HSF1 (0.31) | — | |
| SCHEMBL18504936 | 0.70 | HSF1 (0.30) | — | |
| SCHEMBL20176764 | 0.69 | PGR (0.34) | — | |
| SCHEMBL20176779 | 0.69 | MGAT2 (0.31) | — | |
| SCHEMBL20173351 | 0.69 | S1PR1 (0.36) | — |
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-20180145258-A1 | ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND MANUFACTURING METHOD THEREOF | FUJIFILM CORPORATION (JP) | 2018-05-24 | — | — | US | disclosed |