⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25439759 | 0.84 | — | — | |
| SCHEMBL127501 | 0.77 | — | — | |
| SCHEMBL20134670 | 0.74 | — | — | |
| SCHEMBL28159913 | 0.73 | — | — | |
| SCHEMBL5662838 | 0.72 | — | — | |
| SCHEMBL29044841 | 0.72 | — | — | |
| SCHEMBL26928537 | 0.71 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL28159953 | 0.71 | CYP1A2 (0.41) | — | |
| SCHEMBL3106886 | 0.70 | — | — | |
| SCHEMBL7115325 | 0.70 | — | — |
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-116535950-A | Method for preserving fluorine-containing composition, container containing fluorine-containing composition, and method for producing container containing fluorine-containing composition | ＡＧＣ株式会社 | 2023-08-04 | — | — | CN | disclosed |
| CN-116535952-A | Method for preserving fluorine-containing composition, container containing fluorine-containing composition, and method for producing container containing fluorine-containing composition | ＡＧＣ株式会社 | 2023-08-04 | — | — | CN | disclosed |