⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1043200 | 0.95 | — | — | |
| SCHEMBL8575486 | 0.88 | — | — | |
| SCHEMBL11620033 | 0.86 | CYP2C19 (0.31) | — | |
| SCHEMBL1044757 | 0.83 | CYP4F2 (0.30) | — | |
| SCHEMBL6060503 | 0.82 | SIRT2 (0.46) | — | |
| SCHEMBL6060384 | 0.82 | SIRT2 (0.46) | — | |
| SCHEMBL29328600 | 0.81 | CYP4F2 (0.38) | — | |
| SCHEMBL6060679 | 0.81 | SIRT2 (0.38) | — | |
| SCHEMBL29328591 | 0.80 | CYP4F2 (0.40) | — | |
| SCHEMBL10973817 | 0.78 | ABCC4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2272826-A1 | 2-mercaptopentancarboxylic acid derivatives, the method for preparing them and the pharmaceutical compositions containing them | Les Laboratoires Servier (FR) | 2011-01-12 | — | — | EP | disclosed |
| WO-2010149888-A1 | DERIVATIVES OF 2-MERCAPTOCYCLOPENTANE CARBOXYLIC ACID, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | LES LABORATOIRES SERVIER (FR) | 2010-12-29 | — | — | WO | disclosed |
| CN-101928241-A | 2-mercaptopentancarboxacid acid derivatives, its preparation method and contain their medicinal compositions | SERVIER LAB | 2010-12-29 | — | — | CN | disclosed |