⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27666659 | 0.97 | ALDH1A1 (0.45) | — | |
| SCHEMBL22371 | 0.97 | — | — | |
| SCHEMBL28442031 | 0.94 | — | — | |
| SCHEMBL28240317 | 0.94 | ALDH1A1 (0.47) | — | |
| Water SCHEMBL29832019 | 0.94 | — | — | |
| SCHEMBL1321713 | 0.94 | — | — | |
| Ethylenediamine SCHEMBL28580671 | 0.92 | ALDH1A1 (0.45) | — | |
| Acetic Acid SCHEMBL11247935 | 0.92 | ALDH1A1 (0.45) | — | |
| Glycine SCHEMBL29244709 | 0.90 | GLRA1 (0.50) | — | |
| SCHEMBL29054417 | 0.90 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112779785-A | Composite functional surfactant and application thereof | 江门市德山复合材料科技有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-108635240-A | Dispersion liquid and hydrogel forming method | 日产化学工业株式会社 | 2018-10-12 | — | — | CN | disclosed |
| CN-103430102-B | Method for manufacturing integrated circuit devices, optical devices, micromachines and mechanical precision devices having patterned material layers with line-space dimensions of 50 nm and less | 巴斯夫欧洲公司 | 2017-02-08 | — | — | CN | disclosed |