⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17862411 | 0.97 | — | — | |
| SCHEMBL20737539 | 0.94 | PDK2 (0.31) | — | |
| SCHEMBL17862345 | 0.90 | PDK2 (0.32) | — | |
| SCHEMBL10331208 | 0.90 | PDK2 (0.32) | — | |
| SCHEMBL27250818 | 0.90 | PDK2 (0.33) | — | |
| SCHEMBL17862380 | 0.89 | — | — | |
| SCHEMBL22663859 | 0.88 | PDK2 (0.31) | — | |
| SCHEMBL24734852 | 0.87 | — | — | |
| SCHEMBL20735808 | 0.86 | PDK2 (0.31) | — | |
| SCHEMBL17862376 | 0.86 | — | — |
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-10396288-B2 | Organic electroluminescent element and electronic device | IDEMITSU KOSAN CO., LTD. (JP) | 2019-08-27 | — | — | US | disclosed |