⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4015328 | 1.00 | — | — | |
| SCHEMBL2589699 | 0.82 | — | — | |
| SCHEMBL182830 | 0.82 | — | — | |
| SCHEMBL14599339 | 0.82 | — | — | |
| SCHEMBL14597459 | 0.79 | — | — | |
| SCHEMBL28588977 | 0.79 | KEAP1 (0.30) | — | |
| SCHEMBL12780481 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL28756508 | 0.73 | — | — | |
| SCHEMBL7098435 | 0.73 | — | — | |
| SCHEMBL11052144 | 0.72 | — | — |
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-113230220-A | Preparation method of pregabalin | 大桐制药（中国）有限责任公司 | 2021-08-10 | — | — | CN | claimed |
| EP-3171718-A1 | AEROSOL PROVISION SYSTEM | Nicoventures Holdings Limited (GB) | 2017-05-31 | — | — | EP | disclosed |
| CN-104226257-B | Reduce adsorbent and the application thereof of crotonaldehyde in cigarette smoke burst size | Cigarette industry Co., Ltd in Yunnan (CN) | 2016-02-24 | — | — | CN | disclosed |
| WO-2016012769-A1 | AEROSOL PROVISION SYSTEM | NICOVENTURES HOLDINGS LIMITED (GB) | 2016-01-28 | — | — | WO | disclosed |
| CN-104226257-A | Adsorbent for reducing release amount of crotonaldehyde in cigarette smoke and application of adsorbent | CHINA TOBACCO YUNNAN IND CO LTD | 2014-12-24 | — | — | CN | disclosed |
| EP-1000920-B1 | PROCESS FOR THE PREPARATION OF ALPHA-OXOALDEHYDES | NIPPON CATALYTIC CHEM IND (JP) | 2006-01-11 | — | — | EP | disclosed |
| US-6313343-B1 | OXIDATION CATALYSTS | NIPPON SHOKUBAI CO., LTD. (JP) | 2001-11-06 | — | — | US | disclosed |
| EP-0760358-B1 | Method of manufacturing alpha-oxocarboxylate and catalyst adopted in the method | NIPPON CATALYTIC CHEM IND (JP) | 2001-06-20 | — | — | EP | disclosed |
| EP-1000920-A1 | PROCESS FOR THE PREPARATION OF $g(a)-OXOALDEHYDES | Nippon Shokubai Co., Ltd. (JP) | 2000-05-17 | — | — | EP | disclosed |
| US-5750768-A | Method of manufacturing α-oxocarboxylate and catalyst adopted in the method | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0760358-A1 | Method of manufacturing alpha-oxocarboxylate and catalyst adopted in the method | NIPPON SHOKUBAI CO., LTD. (JP) | 1997-03-05 | — | — | EP | disclosed |
| US-3963618-A | POLYVINYL ACETALS | BABCOCK & WILCOX LIMITED (EN) | 1976-06-15 | — | — | US | disclosed |