⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2391579 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL1109764 | 0.71 | CA2 (0.31) | — | |
| SCHEMBL11344547 | 0.70 | — | — | |
| SCHEMBL28127586 | 0.70 | ACE2 (0.34) | — | |
| SCHEMBL25170508 | 0.68 | CA2 (0.31) | — | |
| SCHEMBL2454714 | 0.67 | — | — | |
| SCHEMBL3287026 | 0.67 | CA2 (0.34) | — | |
| SCHEMBL2956967 | 0.67 | — | — | |
| SCHEMBL27185934 | 0.66 | ADH1B (0.36) | — | |
| SCHEMBL28150593 | 0.66 | ACE2 (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 |
|---|---|---|---|---|---|---|---|
| EP-1945746-A1 | COMPOSITION WITH SURFACE MODIFYING PROPERTIES | ECOLAB, INC. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007054126-A1 | COMPOSITION WITH SURFACE MODIFYING PROPERTIES | ECOLAB INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-1982003082-A1 | WATER-DISPERSIBLE BINDER FOR CATIONIC ELECTROPHORETIC STEEPING L ACQUER AND METHOD FOR ITS PREPARATION | DIEFENBACH HORST | 1982-09-16 | — | — | WO | disclosed |