⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17689142 | 0.65 | — | — | |
| SCHEMBL1030698 | 0.65 | — | — | |
| SCHEMBL2268719 | 0.62 | — | — | |
| SCHEMBL1061746 | 0.60 | — | — | |
| SCHEMBL7819054 | 0.56 | — | — | |
| SCHEMBL8677844 | 0.56 | — | — | |
| SCHEMBL13672207 | 0.55 | — | — | |
| SCHEMBL8763618 | 0.55 | — | — | |
| SCHEMBL152107 | 0.53 | — | — | |
| Propane SCHEMBL27724435 | 0.53 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108250009-B | Preparation method of p-menthane | 湖南长岭石化科技开发有限公司 | 2020-08-07 | — | — | CN | claimed |
| CN-108250009-A | To the preparation method of Meng's alkane | 湖南长岭石化科技开发有限公司 | 2018-07-06 | — | — | CN | claimed |
| US-20120071700-A1 | CATALYSTS FOR HYDROGENATION OF UNSATURATED HYDROCARBONS AND PREPARATIONS AND USES THEREOF | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2012-03-22 | — | — | US | claimed |
| CN-108250009-B | Preparation method of p-menthane | 湖南长岭石化科技开发有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-108250009-A | To the preparation method of Meng's alkane | 湖南长岭石化科技开发有限公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-103071494-B | Hydrogenation catalyst with shell distribution and comprising silica auxiliary agent | CHINA PETROLEUM & CHEMICAL | 2015-06-17 | — | — | CN | disclosed |
| CN-103071491-B | Hydrogenation catalyst with large specific surface and low acid amount, and application thereof | CHINA PETROLEUM & CHEMICAL | 2015-03-11 | — | — | CN | disclosed |
| US-20120071700-A1 | CATALYSTS FOR HYDROGENATION OF UNSATURATED HYDROCARBONS AND PREPARATIONS AND USES THEREOF | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2012-03-22 | — | — | US | disclosed |