⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7746882 | 0.86 | — | — | |
| SCHEMBL705113 | 0.84 | — | — | |
| Water SCHEMBL27487507 | 0.81 | — | — | |
| Phosphine SCHEMBL27912494 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL28036698 | 0.81 | — | — | |
| Methylamine SCHEMBL28253427 | 0.78 | — | — | |
| SCHEMBL28553587 | 0.78 | — | — | |
| Propane SCHEMBL28430383 | 0.76 | — | — | |
| SCHEMBL5886627 | 0.75 | — | — | |
| SCHEMBL6303302 | 0.74 | TSHR (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116676068-A | Low-modulus high-strength polyurethane structural adhesive for power battery assembly and preparation method thereof | 南通高盟新材料有限公司 | 2023-09-01 | — | — | CN | claimed |
| CN-112409400-A | Rosin-based organic silicon cross-linking agent, and preparation method and application thereof | 中国林业科学研究院林产化学工业研究所 | 2021-02-26 | — | — | CN | claimed |
| CN-110591080-A | Silane modified polyether and preparation method and application thereof | 武汉奥克特种化学有限公司 | 2019-12-20 | — | — | CN | claimed |
| CN-116676068-A | Low-modulus high-strength polyurethane structural adhesive for power battery assembly and preparation method thereof | 南通高盟新材料有限公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-112409400-B | Rosin-based organic silicon cross-linking agent, and preparation method and application thereof | 中国林业科学研究院林产化学工业研究所 | 2023-04-18 | — | — | CN | disclosed |
| CN-112409400-A | Rosin-based organic silicon cross-linking agent, and preparation method and application thereof | 中国林业科学研究院林产化学工业研究所 | 2021-02-26 | — | — | CN | disclosed |
| CN-110591080-A | Silane modified polyether and preparation method and application thereof | 武汉奥克特种化学有限公司 | 2019-12-20 | — | — | CN | disclosed |