⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5198394 | 0.78 | — | — | |
| SCHEMBL4940124 | 0.78 | NPY5R (0.33) | — | |
| SCHEMBL7874332 | 0.65 | — | — | |
| SCHEMBL9797844 | 0.65 | NUDT1 (0.41) | — | |
| SCHEMBL9413691 | 0.63 | — | — | |
| SCHEMBL19638274 | 0.62 | — | — | |
| SCHEMBL20611894 | 0.62 | PDPK1 (0.44) | — | |
| SCHEMBL2965047 | 0.62 | — | — | |
| SCHEMBL1290910 | 0.62 | PNP (0.48) | — | |
| SCHEMBL27285056 | 0.60 | DYRK1A (0.32) | — |
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-20010012572-A1 | Novel polymer, light-emitting device material and light-emitting device using the same | FUJI PHOTO FILM CO., LTD. (JP) | 2001-08-09 | — | — | US | disclosed |