⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24627210 | 0.88 | — | — | |
| SCHEMBL24626770 | 0.84 | — | — | |
| SCHEMBL24626763 | 0.84 | CA12 (0.32) | — | |
| SCHEMBL24627179 | 0.83 | — | — | |
| SCHEMBL25054696 | 0.83 | JAK2 (0.30) | — | |
| SCHEMBL24627209 | 0.81 | PDPK1 (0.32) | — | |
| SCHEMBL25054769 | 0.81 | — | — | |
| SCHEMBL23628264 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL24626679 | 0.80 | — | — | |
| SCHEMBL25054695 | 0.79 | — | — |
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-20220223800-A1 | ORGANIC COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) | 2022-07-14 | — | — | US | disclosed |