⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL509413 | 0.96 | — | — | |
| Methyl Alcohol SCHEMBL27906388 | 0.87 | — | — | |
| Acetic Acid SCHEMBL28238009 | 0.78 | HCAR2 (0.48) | — | |
| SCHEMBL29966368 | 0.76 | — | — | |
| SCHEMBL30339238 | 0.72 | CYP11B2 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL28242958 | 0.71 | HCAR2 (0.50) | — | |
| SCHEMBL1445169 | 0.67 | ATM (0.56) | — | |
| Cyanide SCHEMBL28243953 | 0.67 | HCAR2 (0.46) | — | |
| SCHEMBL56635 | 0.67 | — | — | |
| SCHEMBL6250925 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200216431-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2020-07-09 | — | — | US | claimed |
| CN-111116575-B | 5-fluoro-2, 4-pyrimidinediamine compound and preparation and application thereof | 浙江工业大学 | 2021-06-15 | — | — | CN | disclosed |
| CN-111116575-A | 5-fluoro-2, 4-pyrimidinediamine compound and preparation and application thereof | 浙江工业大学 | 2020-05-08 | — | — | CN | disclosed |