⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19118654 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL8498003 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL3286239 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL22990277 | 0.73 | — | — | |
| SCHEMBL14289001 | 0.71 | — | — | |
| SCHEMBL1378607 | 0.71 | — | — | |
| SCHEMBL10543953 | 0.71 | TDP1 (0.42) | — | |
| SCHEMBL22921 | 0.71 | — | — | |
| SCHEMBL3286159 | 0.70 | PAOX (0.31) | — | |
| SCHEMBL2452714 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7700540-B2 | Hard surface cleaning composition | THE CLOROX COMPANY (US) | 2010-04-20 | — | — | US | claimed |
| US-20070099816-A1 | Hard Surface Cleaning Composition | THE CLOROX COMPANY | 2007-05-03 | — | — | US | claimed |
| US-7700540-B2 | Hard surface cleaning composition | THE CLOROX COMPANY (US) | 2010-04-20 | — | — | US | disclosed |
| US-20070099816-A1 | Hard Surface Cleaning Composition | THE CLOROX COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-4048139-A | ARSENIC THIOARSENATE, COPPER PHTHALOCYANINE, ANATASE TITANIUM DIOXIDE, PIGMENTS | CELANESE CORPORATION (US) | 1977-09-13 | — | — | US | disclosed |