⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8052154 | 0.75 | ORAI1 (0.35) | — | |
| SCHEMBL4103716 | 0.69 | — | — | |
| SCHEMBL1032149 | 0.67 | — | — | |
| SCHEMBL17236450 | 0.65 | ORAI1 (0.55) | — | |
| SCHEMBL28100337 | 0.62 | CA3 (0.41) | — | |
| SCHEMBL17236457 | 0.62 | CA2 (0.52) | — | |
| SCHEMBL17236459 | 0.62 | ENPP2 (0.52) | — | |
| SCHEMBL9098692 | 0.62 | — | — | |
| SCHEMBL2120 | 0.62 | — | — | |
| Water SCHEMBL28104228 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106142890-B | Gas modulation lights Security element | 中国人民银行印制科学技术研究所 | 2018-02-27 | — | — | CN | disclosed |