⚠ 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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL28878364 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL4960877 | 0.71 | LMNA (0.38) | — | |
| Bromide SCHEMBL9179044 | 0.71 | — | — | |
| Fluoride SCHEMBL27350071 | 0.71 | — | — | |
| Fluoride SCHEMBL28049667 | 0.69 | — | — | |
| SCHEMBL28849565 | 0.68 | LMNA (0.47) | — | |
| SCHEMBL5268 | 0.68 | — | — | |
| Cyclohexane SCHEMBL6740252 | 0.66 | PTGS1 (0.41) | — | |
| Butane SCHEMBL25220481 | 0.66 | LMNA (0.45) | — | |
| SCHEMBL20533540 | 0.66 | — | — |
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-118319885-A | Double Ding Xuewei plaster and preparation process and use method thereof | 四川永诺生物科技有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-117924347-A | Preparation method of monosulfur organosilane coupling agent | 江西宏柏新材料股份有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-116785756-A | Crystallization kettle with high-efficient cooling crystallization function | 成都铭柔柏霞科技有限公司 | 2023-09-22 | — | — | CN | disclosed |
| EP-2229959-A2 | Standarized production of mature biofilms | EMPA Eidgenössische Materialprüfungs- und Forschungsanstalt (CH) | 2010-09-22 | — | — | EP | disclosed |