⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17925848 | 0.85 | — | — | |
| SCHEMBL28357332 | 0.82 | CSNK1D (0.40) | — | |
| SCHEMBL28357607 | 0.82 | HTR6 (0.39) | — | |
| SCHEMBL28361027 | 0.81 | CSNK1D (0.43) | — | |
| SCHEMBL28357336 | 0.79 | MAPT (0.31) | — | |
| SCHEMBL28357480 | 0.79 | CSNK1D (0.45) | — | |
| SCHEMBL28361172 | 0.79 | CSNK1D (0.42) | — | |
| SCHEMBL28357280 | 0.76 | CCR5 (0.31) | — | |
| SCHEMBL28357291 | 0.76 | MAPT (0.30) | — | |
| SCHEMBL24453091 | 0.75 | SCN9A (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110804061-B | Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof | 中国医学科学院医药生物技术研究所 | 2021-01-05 | — | — | CN | disclosed |
| CN-110804061-A | Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof | 中国医学科学院医药生物技术研究所 | 2020-02-18 | — | — | CN | disclosed |