⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL21591033 | 0.74 | — | — | |
| Bromide SCHEMBL21591030 | 0.74 | — | — | |
| SCHEMBL7622272 | 0.73 | — | — | |
| SCHEMBL21527372 | 0.72 | TSHR (0.43) | — | |
| Bromide SCHEMBL8520238 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL7535064 | 0.70 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7532323 | 0.68 | LMNA (0.42) | — | |
| SCHEMBL1493706 | 0.68 | LMNA (0.42) | — | |
| Ethylene Glycol SCHEMBL8013339 | 0.57 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL49878 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020240133-A1 | SELF-RETARDANT COPOLYESTERAMIDE | ARKEMA FRANCE (FR) | 2020-12-03 | — | — | WO | claimed |
| CN-111356693-A | Herbicidal phenyl ethers | 巴斯夫欧洲公司 | 2020-06-30 | — | — | CN | disclosed |
| WO-2013063149-A1 | SIALIC ACID ANALOGS | ULTRAGENYX PHARMACEUTICAL, INC. (US) | 2013-05-02 | — | — | WO | disclosed |