⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5608117 | 0.91 | NOS1 (0.42) | — | |
| SCHEMBL2789898 | 0.80 | NOS3 (0.34) | — | |
| SCHEMBL6671781 | 0.75 | CYP2C19 (0.43) | — | |
| SCHEMBL11588205 | 0.74 | — | — | |
| SCHEMBL17234300 | 0.74 | CYP2C19 (0.46) | — | |
| SCHEMBL24270258 | 0.72 | — | — | |
| SCHEMBL1858800 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11589104 | 0.72 | NOS3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL7372734 | 0.71 | ALDH1A1 (0.44) | — | |
| Bromide SCHEMBL8609769 | 0.69 | NOS1 (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0928191-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING S-ALKYLISOTHIOURONIUM DERIVATIVES | MEDITOR PHARMACEUTICALS LTD (IL) | 2002-08-28 | — | — | EP | claimed |
| CN-106939248-B | Water-based carbon deposit cleaning composition for automobile | Foshan city cloud Technology Co. Ltd. (CN) | 2019-12-10 | — | — | CN | disclosed |
| CN-1079104-A | The preparation method of phenoxy phenylthiourea, Phenoxyphenyl isothiourea and Phenoxyphenyl carbodiimides | CIBA GEIGY AG (CH) | 1993-12-08 | — | — | CN | disclosed |
| US-4475942-A | N-Phosphonomethylglycine derivatives and herbicidal compositions containing them | GESHURI LABORATORIES LTD. (IL) | 1984-10-09 | — | — | US | disclosed |