⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4796797 | 0.79 | — | — | |
| SCHEMBL2514270 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28763140 | 0.75 | — | — | |
| SCHEMBL311602 | 0.73 | — | — | |
| SCHEMBL523008 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29426653 | 0.71 | — | — | |
| Iodide SCHEMBL28463288 | 0.71 | — | — | |
| SCHEMBL28049160 | 0.70 | — | — | |
| Pyrrole SCHEMBL27879315 | 0.69 | — | — | |
| SCHEMBL3624729 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116410137-A | Preparation method of trifluoromethyl substituted pyrazoline compound | 中国医学科学院药用植物研究所海南分所 | 2023-07-11 | — | — | CN | disclosed |