⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6203953 | 0.72 | — | — | |
| SCHEMBL13602734 | 0.65 | CES1 (0.32) | — | |
| SCHEMBL23248753 | 0.65 | — | — | |
| SCHEMBL9944454 | 0.62 | — | — | |
| SCHEMBL28946075 | 0.62 | — | — | |
| SCHEMBL8108428 | 0.62 | — | — | |
| SCHEMBL25557 | 0.61 | — | — | |
| SCHEMBL9477465 | 0.59 | — | — | |
| SCHEMBL18098201 | 0.59 | — | — | |
| SCHEMBL11913514 | 0.59 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116262809-B | Fluorine-containing polyurethane elastomer and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-04-12 | — | — | CN | claimed |
| CN-117285842-B | Modified color paste, bi-component aromatic polyurethane material and preparation method thereof | 黎明化工研究设计院有限责任公司 | 2024-02-27 | — | — | CN | claimed |
| CN-117285842-A | Modified color paste, bi-component aromatic polyurethane material and preparation method thereof | 黎明化工研究设计院有限责任公司 | 2023-12-26 | — | — | CN | claimed |
| CN-116262809-A | Fluorine-containing polyurethane elastomer and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2023-06-16 | — | — | CN | claimed |
| CN-116262809-B | Fluorine-containing polyurethane elastomer and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-04-12 | — | — | CN | disclosed |
| CN-117843927-A | Fluorine-containing polythiol curing agent, epoxy resin adhesive and preparation method thereof | 四川轻化工大学 | 2024-04-09 | — | — | CN | disclosed |
| CN-117285842-B | Modified color paste, bi-component aromatic polyurethane material and preparation method thereof | 黎明化工研究设计院有限责任公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-117285842-A | Modified color paste, bi-component aromatic polyurethane material and preparation method thereof | 黎明化工研究设计院有限责任公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-116262809-A | Fluorine-containing polyurethane elastomer and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2023-06-16 | — | — | CN | disclosed |