⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11034999 | 0.75 | — | — | |
| SCHEMBL4777819 | 0.73 | MAPT (0.30) | — | |
| SCHEMBL27430659 | 0.73 | — | — | |
| SCHEMBL6400253 | 0.73 | — | — | |
| SCHEMBL11800437 | 0.69 | — | — | |
| SCHEMBL861271 | 0.68 | — | — | |
| SCHEMBL2357979 | 0.67 | — | — | |
| SCHEMBL27919662 | 0.67 | — | — | |
| SCHEMBL27776686 | 0.66 | — | — | |
| SCHEMBL2249508 | 0.64 | L3MBTL1 (0.32) | — |
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-1206292-C | Bismuth oxide catalyst for cathodic electrocoating compositions | DU PONT (US) | 2005-06-15 | — | — | CN | disclosed |
| US-4529803-A | Reacting imidazole with an unsaturated carboxylic ester | THE DOW CHEMICAL COMPANY (US) | 1985-07-16 | — | — | US | disclosed |
| US-4267350-A | FABRIC SOFTENERS, CATIONIC AND AMPHOTERIC SURFACTANTS; ANTISTATIC AGENTS; CORROSION RESISTANCE | THE DOW CHEMICAL COMPANY (US) | 1981-05-12 | — | — | US | disclosed |