⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18966397 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL20332659 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL16204287 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL18929799 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL22986944 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL14234461 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL20029373 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL21511141 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL21101608 | 0.97 | CES2 (0.44) | — | |
| SCHEMBL26309170 | 0.97 | CES2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021212858-A1 | APPLICATION OF HETEROCYCLIC COMPOUND CONTAINING AT LEAST TWO SULFUR ATOMS IN PREPARING NANO-VACCINE AND PREPARED NANO-VACCINE | 福州大学 (CN) | 2021-10-28 | — | — | WO | disclosed |
| EP-2395078-B1 | Covalent tethering of functional groups to proteins | PROMEGA CORP (US) | 2017-05-10 | — | — | EP | disclosed |