⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5497429 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL29212172 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL31332676 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL28075987 | 0.71 | — | — | |
| Fumaric Acid SCHEMBL1449922 | 0.69 | TSHR (0.43) | — | |
| Maleic Acid SCHEMBL8132205 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL27840742 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28194909 | 0.65 | — | — | |
| SCHEMBL4920033 | 0.64 | AKR1C3 (0.40) | — | |
| SCHEMBL27496802 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116670849-A | Method for preparing electrolyte-filled high quality load electrode for high energy density battery | 索尔维派公司 | 2023-08-29 | — | — | CN | claimed |
| CN-114804272-B | Wood-like blackbody material and preparation method and application thereof | 中国科学技术大学 | 2023-07-14 | — | — | CN | claimed |
| CN-116670849-A | Method for preparing electrolyte-filled high quality load electrode for high energy density battery | 索尔维派公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-114804272-B | Wood-like blackbody material and preparation method and application thereof | 中国科学技术大学 | 2023-07-14 | — | — | CN | disclosed |
| CN-114804272-B | Wood-like blackbody material and preparation method and application thereof | 中国科学技术大学 | 2023-07-14 | — | — | CN | disclosed |
| CN-114026084-A | Fused imidazole derivatives as IL-17 modulators | UCB生物制药有限责任公司 | 2022-02-08 | — | — | CN | disclosed |