⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23318831 | 0.94 | — | — | |
| SCHEMBL25501295 | 0.93 | — | — | |
| SCHEMBL25451913 | 0.93 | PDK2 (0.32) | — | |
| SCHEMBL23318638 | 0.93 | — | — | |
| SCHEMBL23318840 | 0.93 | — | — | |
| SCHEMBL23318651 | 0.92 | — | — | |
| SCHEMBL22780156 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL23614372 | 0.91 | — | — | |
| SCHEMBL25656993 | 0.91 | PDK2 (0.31) | — | |
| SCHEMBL25796220 | 0.91 | — | — |
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-20210130313-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO. LTD. (CN) | 2021-05-06 | — | — | US | disclosed |