⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28173907 | 0.85 | — | — | |
| SCHEMBL7866759 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL5534355 | 0.69 | — | — | |
| SCHEMBL28013012 | 0.68 | — | — | |
| SCHEMBL28097865 | 0.67 | DHFR (0.36) | — | |
| SCHEMBL4551296 | 0.66 | — | — | |
| SCHEMBL5489157 | 0.66 | ALDH1A1 (0.33) | — | |
| Alcohol SCHEMBL29044093 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL8085239 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL29012925 | 0.65 | ALDH1A1 (0.32) | — |
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-107924015-A | Compound with mesomorphic base and the composition containing it and polymer, optically anisotropic body and phase difference film as obtained from polymerizeing polymerizable composition, polymerizable composition | DIC株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-107924017-A | Composition containing compound having mesogenic group, polymer obtained by polymerizing polymerizable composition, optically anisotropic body, and phase difference film | DIC株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-106029767-B | Cross-linkable nitrile rubber composition and rubber cross thing | 日本瑞翁株式会社 | 2018-01-09 | — | — | CN | disclosed |