⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28337516 | 0.77 | ACLY (0.36) | — | |
| SCHEMBL31246329 | 0.76 | LMNA (0.43) | — | |
| SCHEMBL15340969 | 0.75 | ACLY (0.39) | — | |
| SCHEMBL6683540 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL9579 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL28368488 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL8621947 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL8965 | 0.70 | SOAT1 (0.37) | — | |
| SCHEMBL10437649 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL1908888 | 0.69 | ACLY (0.56) | — |
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-110831925-A | Heteroaryl pyrimidine compound and pest control agent | 日本曹达株式会社 | 2020-02-21 | — | — | CN | disclosed |