⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15832839 | 1.00 | — | — | |
| SCHEMBL296325 | 0.97 | — | — | |
| SCHEMBL27768118 | 0.97 | — | — | |
| SCHEMBL27809561 | 0.94 | — | — | |
| Phosphonic Acid SCHEMBL27818559 | 0.94 | — | — | |
| SCHEMBL28000990 | 0.94 | — | — | |
| Phosphine SCHEMBL29055278 | 0.94 | — | — | |
| Arsenic SCHEMBL27733641 | 0.94 | — | — | |
| Phosphoric Acid SCHEMBL27886173 | 0.86 | LPAR2 (0.30) | — | |
| Acetic Acid SCHEMBL27714999 | 0.84 | FFAR3 (0.35) | — |
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-8063010-B2 | Solid detergent composition and methods for manufacturing and using | ECOLAB USA INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20060025325-A1 | Solid detergent composition and methods for manufacturing and using | ECOLAB USA INC. | 2006-02-02 | — | — | US | disclosed |