⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11042384 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL27901259 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL11040227 | 0.75 | — | — | |
| SCHEMBL11037876 | 0.73 | — | — | |
| SCHEMBL28121652 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL11037873 | 0.73 | — | — | |
| SCHEMBL295721 | 0.73 | ALOX15 (0.39) | — | |
| SCHEMBL11040847 | 0.69 | TRPA1 (0.53) | — | |
| SCHEMBL24378885 | 0.67 | — | — | |
| SCHEMBL29159373 | 0.67 | — | — |
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-118495851-B | Composite graphene water reducer and preparation method thereof | 深圳市天祥新材料有限公司 | 2024-09-17 | — | — | CN | disclosed |
| CN-118495851-A | Composite graphene water reducer and preparation method thereof | 深圳市天祥新材料有限公司 | 2024-08-16 | — | — | CN | disclosed |