⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8824145 | 1.00 | — | — | |
| SCHEMBL133148 | 0.94 | — | — | |
| SCHEMBL31463991 | 0.89 | — | — | |
| SCHEMBL366335 | 0.82 | — | — | |
| SCHEMBL1230148 | 0.80 | — | — | |
| SCHEMBL28509082 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL9183679 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL5746259 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL3674259 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL5215841 | 0.77 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-20080318823-A1 | Water-Soluble Detergent Composition for Cleaning Liquid Crystal and Preparation Method Thereof | BYD COMPANY LIMITED (CN) | 2008-12-25 | — | — | US | claimed |
| US-20080318823-A1 | Water-Soluble Detergent Composition for Cleaning Liquid Crystal and Preparation Method Thereof | BYD COMPANY LIMITED (CN) | 2008-12-25 | — | — | US | disclosed |