⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20936073 | 0.92 | — | — | |
| SCHEMBL20935830 | 0.84 | — | — | |
| SCHEMBL20318579 | 0.83 | PDK2 (0.32) | — | |
| SCHEMBL20318583 | 0.83 | PDK2 (0.32) | — | |
| SCHEMBL22596242 | 0.82 | PDK2 (0.33) | — | |
| SCHEMBL22596237 | 0.82 | PDK2 (0.33) | — | |
| SCHEMBL20935840 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL17657140 | 0.81 | PDK2 (0.31) | — | |
| SCHEMBL17657147 | 0.81 | PDK2 (0.31) | — | |
| SCHEMBL20318578 | 0.81 | PDK2 (0.31) | — |
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-20190123284-A1 | POLYHETEROAROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME | LUMINESCENCE TECHNOLOGY CORPORATION (TW) | 2019-04-25 | — | — | US | disclosed |