⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL8161927 | 0.80 | — | — | |
| SCHEMBL29140166 | 0.79 | — | — | |
| SCHEMBL28178379 | 0.76 | — | — | |
| SCHEMBL1576016 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL218928 | 0.74 | — | — | |
| Butadiene SCHEMBL17686472 | 0.71 | — | — | |
| Propene SCHEMBL4734549 | 0.71 | — | — | |
| Formaldehyde SCHEMBL28156076 | 0.71 | — | — | |
| Ethylene SCHEMBL27809701 | 0.71 | — | — | |
| Acrolein SCHEMBL5945229 | 0.70 | TRPA1 (0.42) | — |
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-114773955-B | Water-based epoxy resin coating and preparation method thereof | 优美特（北京）环境材料科技股份公司 | 2023-08-18 | — | — | CN | claimed |
| CN-114773955-A | Water-based epoxy resin coating and preparation method thereof | 优美特（北京）环境材料科技股份公司 | 2022-07-22 | — | — | CN | claimed |
| CN-114773955-B | Water-based epoxy resin coating and preparation method thereof | 优美特（北京）环境材料科技股份公司 | 2023-08-18 | — | — | CN | disclosed |
| CN-114773955-A | Water-based epoxy resin coating and preparation method thereof | 优美特（北京）环境材料科技股份公司 | 2022-07-22 | — | — | CN | disclosed |