⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22653289 | 0.72 | — | — | |
| SCHEMBL21925054 | 0.68 | FDPS (0.34) | — | |
| SCHEMBL8465270 | 0.66 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL20912978 | 0.62 | ENO1 (0.32) | — | |
| SCHEMBL973001 | 0.61 | FDPS (0.33) | — | |
| SCHEMBL7449443 | 0.61 | — | — | |
| SCHEMBL20912976 | 0.60 | — | — | |
| SCHEMBL11213638 | 0.60 | FDPS (0.31) | — | |
| SCHEMBL1243993 | 0.58 | FDPS (0.46) | — | |
| SCHEMBL7450331 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3472174-B1 | METHOD FOR THE PREPARATION OF SUBSTITUTED THIOLACTONES, NEW SUBSTITUTED THIOLACTONES, AND USES THEREOF | CENTRE NAT RECH SCIENT (FR) | 2020-11-18 | — | — | EP | claimed |