⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29070777 | 0.85 | — | — | |
| SCHEMBL18184313 | 0.84 | — | — | |
| Toluene SCHEMBL29070781 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL28944613 | 0.78 | — | — | |
| SCHEMBL236550 | 0.78 | — | — | |
| SCHEMBL1572948 | 0.77 | — | — | |
| SCHEMBL26793982 | 0.77 | — | — | |
| SCHEMBL17177857 | 0.76 | — | — | |
| SCHEMBL937448 | 0.74 | — | — | |
| SCHEMBL5069540 | 0.74 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315525-B | Synthesis method of vitamin A intermediate | 广州智特奇生物科技股份有限公司 | 2024-06-04 | — | — | CN | claimed |
| CN-114685338-B | Preparation method of vitamin A acetate | 上虞新和成生物化工有限公司 | 2023-09-12 | — | — | CN | claimed |
| CN-114685338-A | Preparation method of vitamin A acetate | 上虞新和成生物化工有限公司 | 2022-07-01 | — | — | CN | claimed |
| CN-114315525-A | Synthetic method of vitamin A intermediate | 广州智特奇生物科技股份有限公司 | 2022-04-12 | — | — | CN | claimed |
| CN-114315525-B | Synthesis method of vitamin A intermediate | 广州智特奇生物科技股份有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-114315525-B | Synthesis method of vitamin A intermediate | 广州智特奇生物科技股份有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-114685338-B | Preparation method of vitamin A acetate | 上虞新和成生物化工有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-114685338-A | Preparation method of vitamin A acetate | 上虞新和成生物化工有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-114315525-A | Synthetic method of vitamin A intermediate | 广州智特奇生物科技股份有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-114315525-A | Synthetic method of vitamin A intermediate | 广州智特奇生物科技股份有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-104193601-A | A novel method for preparing 3-methyl-pent-2-en-4-yn-1-al | UNIV SICHUAN | 2014-12-10 | — | — | CN | disclosed |
| US-7335785-B2 | Acetylene alcohols having a fluoroalkyl group and methods for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2008-02-26 | — | — | US | disclosed |
| US-7335785-B2 | Acetylene alcohols having a fluoroalkyl group and methods for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2008-02-26 | — | — | US | disclosed |
| EP-1604968-B1 | Acetylene alcohols having a fluoroalkyl group and methods for preparing the same | SHINETSU CHEMICAL CO (JP) | 2007-12-12 | — | — | EP | disclosed |
| US-7067688-B2 | Acetylene alcohol and method for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2006-06-27 | — | — | US | disclosed |
| US-20060100454-A1 | ACETYLENE ALCOHOL AND METHOD FOR PREPARING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. | 2006-05-11 | — | — | US | disclosed |
| EP-1604968-A1 | Acetylene alcohols having a fluoroalkyl group and methods for preparing the same | Shin-Etsu Chemical Company, Ltd. (JP) | 2005-12-14 | — | — | EP | disclosed |
| US-20050272948-A1 | Acetylene alcohols having a fluoroalkyl group and methods for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. | 2005-12-08 | — | — | US | disclosed |