⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29235908 | 0.82 | — | — | |
| SCHEMBL28979498 | 0.78 | NQO1 (0.36) | — | |
| SCHEMBL1744665 | 0.78 | — | — | |
| SCHEMBL20819090 | 0.78 | — | — | |
| SCHEMBL11800416 | 0.72 | NQO1 (0.30) | — | |
| SCHEMBL2518913 | 0.71 | — | — | |
| SCHEMBL9921485 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL12689283 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL15778116 | 0.70 | HSP90AA1 (0.32) | — | |
| SCHEMBL13380804 | 0.70 | HSP90AA1 (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117924146-A | Indole methyl guanidyl urea compound and preparation method and application thereof | 中国农业大学 | 2024-04-26 | — | — | CN | claimed |
| CN-113773233-B | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2022-05-06 | — | — | CN | claimed |
| CN-113773233-A | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2021-12-10 | — | — | CN | claimed |
| CN-114249697-B | Nitrogen heterocyclic macrolide compound containing methyl guanidinyl urea as well as preparation method and application thereof | 中国农业大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-114249697-B | Nitrogen heterocyclic macrolide compound containing methyl guanidinyl urea as well as preparation method and application thereof | 中国农业大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-115636773-A | Aryl ester compound containing guanidinyl urea or guanidinyl ester and preparation and application thereof | 中国农业大学 | 2023-01-24 | — | — | CN | disclosed |
| CN-113773233-B | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2022-05-06 | — | — | CN | disclosed |
| CN-113773233-B | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2022-05-06 | — | — | CN | disclosed |
| CN-113773233-B | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2022-05-06 | — | — | CN | disclosed |
| CN-114249697-A | Nitrogen heterocyclic macrolide compound containing methylguanidinyl urea and preparation method and application thereof | 中国农业大学 | 2022-03-29 | — | — | CN | disclosed |
| CN-114249697-A | Nitrogen heterocyclic macrolide compound containing methylguanidinyl urea and preparation method and application thereof | 中国农业大学 | 2022-03-29 | — | — | CN | disclosed |
| CN-113773233-A | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2021-12-10 | — | — | CN | disclosed |
| CN-113773233-A | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2021-12-10 | — | — | CN | disclosed |
| CN-113773233-A | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2021-12-10 | — | — | CN | disclosed |