⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36108 | 0.97 | — | — | |
| SCHEMBL21295903 | 0.97 | ALDH1A1 (0.36) | — | |
| SCHEMBL28027544 | 0.94 | — | — | |
| Ethylene SCHEMBL3959150 | 0.94 | — | — | |
| Water SCHEMBL27618542 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL11078007 | 0.94 | — | — | |
| Butane SCHEMBL8216264 | 0.94 | ALDH1A1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL741408 | 0.94 | — | — | |
| Water SCHEMBL29011338 | 0.94 | ALDH1A1 (0.35) | — | |
| SCHEMBL7169504 | 0.88 | KDM4E (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110129147-A | A kind of cleaning agent and preparation method thereof | 靖江忠辰贸易有限公司 | 2019-08-16 | — | — | CN | claimed |
| CN-114656338-A | Synthesis method of perfluoro-n-propyl vinyl ether | 四川道宏新材料有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-106661280-B | Crosslinkable rubber composition and crosslinked rubber product | 日本瑞翁株式会社 | 2019-10-18 | — | — | CN | disclosed |
| CN-110129147-A | A kind of cleaning agent and preparation method thereof | 靖江忠辰贸易有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-109749547-A | A kind of environment-friendly type glass baking varnish | 吴春燕 | 2019-05-14 | — | — | CN | disclosed |
| CN-109384695-A | A kind of novel fluorine-containing surfactant and preparation method thereof | 济南大学 | 2019-02-26 | — | — | CN | disclosed |
| CN-108541237-A | Multi-layer articles including release surfaces and methods thereof | 3M创新有限公司 | 2018-09-14 | — | — | CN | disclosed |
| CN-105505093-B | A kind of environment-friendly type glass baking varnish and preparation method thereof | 河北晨阳工贸集团有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107978769-A | A kind of vanadium cell is used based on pyrrolotriazine derivatives membrane and preparation method thereof | 湖南辰砾新材料有限公司 | 2018-05-01 | — | — | CN | disclosed |
| CN-106661280-A | Crosslinkable rubber composition and crosslinked rubber product | 日本瑞翁株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-104024318-B | Curable compositions based on the nitrile rubber containing epoxide group | 朗盛德国有限责任公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-103965023-B | A kind of preparation method of fluoro-alkyl vinyl ethers | Sinochem Lantian Co., Ltd. (CN) | 2016-05-11 | — | — | CN | disclosed |