⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7444838 | 0.85 | — | — | |
| SCHEMBL2308470 | 0.83 | SLC1A2 (0.34) | — | |
| SCHEMBL27999642 | 0.79 | — | — | |
| SCHEMBL23042389 | 0.77 | SLC1A2 (0.34) | — | |
| SCHEMBL3919444 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL3261022 | 0.74 | — | — | |
| SCHEMBL12500003 | 0.73 | POLB (0.31) | — | |
| SCHEMBL4078899 | 0.73 | — | — | |
| SCHEMBL3252763 | 0.73 | AKR1C3 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL5232391 | 0.72 | MAPT (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102448938-A | Dihydropyridine sulfonamides and dihydropyridine sulfamides as MEK inhibitors | ARDEA BIOSCIENCES INC | 2012-05-09 | — | — | CN | disclosed |
| CN-102321020-A | The lxr receptor regulator | FOURNIER LAB SA | 2012-01-18 | — | — | CN | disclosed |
| CN-102131771-A | Compositions and methods for preparing and using same | ARDEA BIOSCIENCES INC | 2011-07-20 | — | — | CN | disclosed |
| CN-101090886-B | Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids | DSM IP ASSETS BV | 2011-05-18 | — | — | CN | disclosed |
| CN-101090886-A | Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids | DSM IP ASSETS BV (NL) | 2007-12-19 | — | — | CN | disclosed |
| CN-1950340-A | LXR receptor modulators | FOURNIER LAB SA (FR) | 2007-04-18 | — | — | CN | disclosed |