⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27486419 | 0.77 | — | — | |
| SCHEMBL31671034 | 0.77 | — | — | |
| SCHEMBL1462053 | 0.77 | — | — | |
| Bromide SCHEMBL27792171 | 0.76 | NNMT (0.42) | — | |
| Hydrochloric Acid SCHEMBL27792154 | 0.76 | NNMT (0.42) | — | |
| SCHEMBL31519524 | 0.76 | NNMT (0.42) | — | |
| SCHEMBL8623919 | 0.74 | — | — | |
| SCHEMBL2840633 | 0.73 | — | — | |
| Oxalic Acid SCHEMBL27792142 | 0.72 | NNMT (0.40) | — | |
| SCHEMBL1961153 | 0.71 | HCAR2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115894836-A | Water-based organic silicon modified polyurea composition with excellent weather resistance and compatibility as well as preparation method and application thereof | 安徽省金盾涂料有限责任公司 | 2023-04-04 | — | — | CN | claimed |
| CN-114231155-A | Hydroxyalkyl aqueous organosilicon modified polyurethane aqueous dispersion composition and preparation method thereof | 安徽省金盾涂料有限责任公司 | 2022-03-25 | — | — | CN | claimed |
| CN-114231155-A | Hydroxyalkyl aqueous organosilicon modified polyurethane aqueous dispersion composition and preparation method thereof | 安徽省金盾涂料有限责任公司 | 2022-03-25 | — | — | CN | disclosed |