⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19217454 | 0.94 | — | — | |
| SCHEMBL19217511 | 0.90 | — | — | |
| SCHEMBL19214196 | 0.78 | CES1 (0.30) | — | |
| SCHEMBL19214176 | 0.78 | HSF1 (0.31) | — | |
| SCHEMBL19217503 | 0.78 | — | — | |
| SCHEMBL19217525 | 0.77 | — | — | |
| SCHEMBL19217522 | 0.76 | — | — | |
| SCHEMBL19217515 | 0.76 | — | — | |
| SCHEMBL20828979 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL20829127 | 0.74 | KDM4E (0.30) | — |
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-20170226279-A1 | ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOUND, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM, AND MANUFACTURING METHOD THEREOF | FUJIFILM CORPORATION (JP) | 2017-08-10 | — | — | US | disclosed |