⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16994957 | 1.00 | — | — | |
| SCHEMBL14345558 | 0.80 | GABBR2 (0.37) | — | |
| SCHEMBL21209155 | 0.79 | — | — | |
| SCHEMBL27774641 | 0.78 | — | — | |
| SCHEMBL11128512 | 0.77 | TDP1 (0.37) | — | |
| SCHEMBL1709336 | 0.77 | — | — | |
| SCHEMBL268198 | 0.77 | — | — | |
| SCHEMBL1709289 | 0.77 | — | — | |
| SCHEMBL637645 | 0.74 | — | — | |
| SCHEMBL24723772 | 0.74 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2545028-A1 | A NOVEL STEREOSPECIFIC SYNTHESIS OF (-) (2S,3S)-1-DIMETHYLAMINO-3-(3-METHOXYPHENYL)-2-METHYL PENTAN-3-OL | Symed Labs Limited (IN) | 2013-01-16 | — | — | EP | claimed |
| WO-2012101649-A1 | A NOVEL STEREOSPECIFIC SYNTHESIS OF (-) (2S,3S)-1-DIMETHYLAMINO-3-(3-METHOXYPHENYL)-2-METHYL PENTAN-3-OL | SYMED LABS LIMITED (IN) | 2012-08-02 | — | — | WO | claimed |
| US-8586569-B2 | Betulonic and betulinic acid derivatives | Leunis, Jean-Claude (BE) | 2013-11-19 | — | — | US | disclosed |
| EP-2545028-A1 | A NOVEL STEREOSPECIFIC SYNTHESIS OF (-) (2S,3S)-1-DIMETHYLAMINO-3-(3-METHOXYPHENYL)-2-METHYL PENTAN-3-OL | Symed Labs Limited (IN) | 2013-01-16 | — | — | EP | disclosed |
| WO-2012101649-A1 | A NOVEL STEREOSPECIFIC SYNTHESIS OF (-) (2S,3S)-1-DIMETHYLAMINO-3-(3-METHOXYPHENYL)-2-METHYL PENTAN-3-OL | SYMED LABS LIMITED (IN) | 2012-08-02 | — | — | WO | disclosed |
| US-20090068257-A1 | BETULONIC AND BETULINIC ACID DERIVATIVES | JEAN-CLAUDE LEUNIS (BE) | 2009-03-12 | — | — | US | disclosed |