⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50274 | 0.97 | — | — | |
| SCHEMBL27837872 | 0.94 | — | — | |
| SCHEMBL28324524 | 0.94 | — | — | |
| SCHEMBL28206808 | 0.94 | — | — | |
| SCHEMBL28571329 | 0.94 | — | — | |
| SCHEMBL25171804 | 0.94 | — | — | |
| SCHEMBL27196772 | 0.91 | — | — | |
| Phosphoric Acid SCHEMBL28194896 | 0.86 | TSHR (0.36) | — | |
| Trimethylammonium SCHEMBL27759593 | 0.86 | TSHR (0.38) | — | |
| Acrylic Acid SCHEMBL28244167 | 0.86 | LMNA (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107812879-B | Making molds composition, from the manufacturing method of solidity casting mold and from solidity making molds external member | 花王株式会社 | 2019-09-03 | — | — | CN | disclosed |
| CN-107812879-A | Making molds with composition, from the manufacture method of solidity casting mold and from solidity making molds external member | 花王株式会社 | 2018-03-20 | — | — | CN | disclosed |
| CN-105848805-B | Composition for molding mold, method for producing self-curing mold, and kit for molding self-curing mold | 花王株式会社 | 2018-02-16 | — | — | CN | disclosed |
| CN-105848805-A | Composition for molding mold, method for producing self-curing mold, and kit for molding self-curing mold | 花王株式会社 | 2016-08-10 | — | — | CN | disclosed |