⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL841666 | 0.67 | FOLH1 (0.35) | — | |
| SCHEMBL3799604 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL1471267 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL1470450 | 0.66 | OR51E2 (0.48) | — | |
| SCHEMBL28170259 | 0.65 | TRPA1 (0.39) | — | |
| SCHEMBL1471206 | 0.63 | PDE4A (0.41) | — | |
| Ethylene Glycol SCHEMBL5551047 | 0.63 | OR51E2 (0.44) | — | |
| Ethylene Glycol SCHEMBL4408551 | 0.63 | OR51E2 (0.44) | — | |
| SCHEMBL6415163 | 0.63 | TP53 (0.47) | — | |
| Acetic Acid SCHEMBL9756915 | 0.62 | FFAR3 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013064890-A2 | NANOCOMPOSITE NEGATIVE PHOTOSENSITIVE COMPOSITION AND USE THEREOF | AZ ELECTRONIC MATERIALS USA CORP. (US) | 2013-05-10 | — | — | WO | disclosed |