⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2461092 | 0.81 | CA12 (0.36) | — | |
| SCHEMBL28180516 | 0.80 | CARM1 (0.31) | — | |
| SCHEMBL2835190 | 0.78 | FFAR3 (0.35) | — | |
| SCHEMBL5784743 | 0.74 | FFAR3 (0.41) | — | |
| SCHEMBL28835967 | 0.72 | CA14 (0.33) | — | |
| SCHEMBL3541127 | 0.71 | — | — | |
| SCHEMBL27972943 | 0.71 | TDP1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL20641202 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL27584046 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL11649571 | 0.69 | FFAR3 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115010733-B | Coumarin modified phenylboronic acid derivative and preparation method thereof, curcumin dynamic covalent complex and preparation method and application thereof | 首都医科大学 | 2024-02-13 | — | — | CN | claimed |
| CN-115010733-A | Coumarin modified phenylboronic acid derivative and preparation method thereof, curcumin dynamic covalent compound and preparation method and application thereof | 首都医科大学 | 2022-09-06 | — | — | CN | claimed |
| CN-117567541-A | Steroid cationic lipid compound, lipid nanoparticle, and preparation methods and applications thereof | 中国科学技术大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-115010733-B | Coumarin modified phenylboronic acid derivative and preparation method thereof, curcumin dynamic covalent complex and preparation method and application thereof | 首都医科大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-115010733-A | Coumarin modified phenylboronic acid derivative and preparation method thereof, curcumin dynamic covalent compound and preparation method and application thereof | 首都医科大学 | 2022-09-06 | — | — | CN | disclosed |