⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25302346 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL25305564 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL25302344 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL8575486 | 0.79 | — | — | |
| SCHEMBL6060737 | 0.79 | SIRT2 (0.33) | — | |
| SCHEMBL11851724 | 0.79 | ADH1B (0.33) | — | |
| SCHEMBL1044757 | 0.77 | CYP4F2 (0.30) | — | |
| SCHEMBL11620033 | 0.77 | CYP2C19 (0.31) | — | |
| SCHEMBL25303385 | 0.76 | — | — | |
| SCHEMBL10973817 | 0.76 | 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 |
|---|---|---|---|---|---|---|---|
| US-8309341-B2 | 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them | Les Laboratories Server (FR) | 2012-11-13 | — | — | US | disclosed |
| 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 |
| US-20100330064-A1 | 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them | LES LABORATOIRES SERVIER (FR) | 2010-12-30 | — | — | US | disclosed |