⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14198746 | 1.00 | — | — | |
| SCHEMBL18866521 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL20863346 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL8220002 | 0.80 | — | — | |
| SCHEMBL13044155 | 0.80 | — | — | |
| SCHEMBL14590431 | 0.80 | — | — | |
| SCHEMBL8000109 | 0.80 | — | — | |
| SCHEMBL18541811 | 0.80 | — | — | |
| SCHEMBL53030 | 0.79 | — | — | |
| SCHEMBL13871116 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116635445-A | Polyester polyols comprising isosorbide, isoidide or isomannide derived units | 巴斯夫欧洲公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-116615479-A | Polyester polyols comprising 2, 5-bis (hydroxymethyl) tetrahydrofuran | 巴斯夫欧洲公司 | 2023-08-18 | — | — | CN | disclosed |