⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13757280 | 0.73 | — | — | |
| SCHEMBL18779681 | 0.73 | — | — | |
| SCHEMBL1066102 | 0.68 | — | — | |
| SCHEMBL13605266 | 0.67 | — | — | |
| SCHEMBL13221490 | 0.67 | CHRNB2 (0.45) | — | |
| SCHEMBL18779683 | 0.64 | — | — | |
| SCHEMBL16682997 | 0.64 | — | — | |
| SCHEMBL13888946 | 0.64 | EPHX2 (0.38) | — | |
| SCHEMBL13106577 | 0.64 | EPHX2 (0.38) | — | |
| SCHEMBL25631562 | 0.64 | DPP4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572817-B2 | 2,5-disubstituted 3-mercaptopentanoic acid | ASTRAZENECA AB (SE) | 2009-08-11 | — | — | US | disclosed |