⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5597606 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL5597605 | 0.78 | — | — | |
| SCHEMBL129755 | 0.75 | — | — | |
| SCHEMBL3503974 | 0.73 | — | — | |
| SCHEMBL406721 | 0.73 | — | — | |
| SCHEMBL11882644 | 0.71 | — | — | |
| SCHEMBL3445939 | 0.71 | — | — | |
| SCHEMBL28402511 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL4378823 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL8436725 | 0.69 | ALDH1A1 (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6964787-B2 | Method and system for reducing microbial burden on a food product | ECOLAB INC. (US) | 2005-11-15 | — | — | US | disclosed |
| US-6927237-B2 | Two solvent antimicrobial compositions and methods employing them | ECOLAB INC. (US) | 2005-08-09 | — | — | US | disclosed |
| US-20050096245-A1 | Two solvent antimicrobial compositions and methods employing them | ECOLAB INC. (US) | 2005-05-05 | — | — | US | disclosed |
| US-20020192340-A1 | Method and system for reducing microbial burden on a food product | ECOLAB USA INC. | 2002-12-19 | — | — | US | disclosed |
| US-20020168422-A1 | Two solvent antimicrobial compositions and methods employing them | ECOLAB USA INC. | 2002-11-14 | — | — | US | disclosed |
| WO-2002060280-A2 | METHOD AND SYSTEM FOR REDUCING MICROBIAL BURDEN ON A FOOD PRODUCT BY APPLICATION OF ANTIMICROBIAL AGENT AND IRRADIATION TO THE FOOD PRODUCT | ECOLAB INC. (US) | 2002-08-08 | — | — | WO | disclosed |