⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22334277 | 0.67 | — | — | |
| SCHEMBL8239368 | 0.67 | — | — | |
| SCHEMBL5651059 | 0.67 | — | — | |
| SCHEMBL4914116 | 0.67 | — | — | |
| SCHEMBL28833588 | 0.63 | — | — | |
| SCHEMBL9944599 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL5493467 | 0.57 | — | — | |
| SCHEMBL2047395 | 0.50 | — | — | |
| SCHEMBL29394247 | 0.50 | — | — | |
| Fluoride SCHEMBL21816906 | 0.39 | CA1 (0.57) | — |
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-107667106-A | 2 (base of Pyrazolopyridine 3) pyrimidine derivatives as JAK inhibitor | 阿尔米雷尔有限公司 | 2018-02-06 | — | — | CN | disclosed |