⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23118829 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL1123380 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL1123304 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL1123634 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL20681274 | 0.95 | CES2 (0.46) | — | |
| SCHEMBL1123588 | 0.91 | — | — | |
| SCHEMBL28668580 | 0.89 | CES2 (0.40) | — | |
| SCHEMBL7543307 | 0.88 | CES2 (0.50) | — | |
| SCHEMBL19291265 | 0.85 | CES2 (0.48) | — | |
| SCHEMBL11776999 | 0.85 | CES2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116354923-A | Nitrogen-containing heterocyclic compound and application thereof | 江苏恩华药业股份有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-116354923-A | Nitrogen-containing heterocyclic compound and application thereof | 江苏恩华药业股份有限公司 | 2023-06-30 | — | — | CN | disclosed |
| US-4424213-A | PESTICIDES | SDS BIOTECH CORPORATION (US) | 1984-01-03 | — | — | US | disclosed |