⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27320729 | 0.78 | — | — | |
| SCHEMBL18655700 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL27618248 | 0.76 | — | — | |
| SCHEMBL22296704 | 0.74 | — | — | |
| SCHEMBL5644945 | 0.73 | GLO1 (0.47) | — | |
| SCHEMBL27648818 | 0.73 | GLO1 (0.47) | — | |
| SCHEMBL13560398 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL13560395 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL27615763 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7120509 | 0.70 | — | — |
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-115636762-A | Method for catalytically synthesizing beta-trifluoromethyl enamine compound by organic fuel | 江苏科技大学 | 2023-01-24 | — | — | CN | disclosed |