⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28808913 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL2129150 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL6692734 | 0.74 | — | — | |
| SCHEMBL858078 | 0.74 | — | — | |
| SCHEMBL18867261 | 0.74 | — | — | |
| SCHEMBL1904095 | 0.73 | — | — | |
| SCHEMBL7127758 | 0.72 | TSHR (0.47) | — | |
| SCHEMBL3923994 | 0.72 | — | — | |
| SCHEMBL16343058 | 0.72 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL27424813 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0367508-B1 | MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES | ROHM AND HAAS COMPANY (US) | 1992-07-22 | — | — | EP | claimed |
| EP-0367508-A1 | Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates | ROHM AND HAAS COMPANY (US) | 1990-05-09 | — | — | EP | claimed |