⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11810911 | 0.97 | ALDH1A1 (0.56) | — | |
| SCHEMBL11727901 | 0.97 | ALDH1A1 (0.56) | — | |
| SCHEMBL11691475 | 0.97 | ALDH1A1 (0.56) | — | |
| SCHEMBL10825613 | 0.92 | — | — | |
| SCHEMBL2178769 | 0.90 | ALDH1A1 (0.48) | — | |
| Methyl Alcohol SCHEMBL22499764 | 0.87 | CYP1A2 (0.46) | — | |
| SCHEMBL11439719 | 0.86 | ALDH1A1 (0.32) | — | |
| Alcohol SCHEMBL27522883 | 0.85 | CYP1A2 (0.44) | — | |
| SCHEMBL1954604 | 0.83 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL9751750 | 0.82 | CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0253767-A1 | Parasiticide and insecticide | CIBA-GEIGY AG (CH) | 1988-01-20 | — | — | EP | claimed |
| CN-103119049-A | Organic phosphorus compound and method for producing same | UBE INDUSTRIES | 2013-05-22 | — | — | CN | disclosed |
| EP-0253767-A1 | Parasiticide and insecticide | CIBA-GEIGY AG (CH) | 1988-01-20 | — | — | EP | disclosed |