⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27527178 | 0.83 | CES1 (0.39) | — | |
| SCHEMBL1080618 | 0.81 | FDPS (0.46) | — | |
| SCHEMBL5311772 | 0.79 | FDPS (0.48) | — | |
| SCHEMBL5311423 | 0.79 | FDPS (0.48) | — | |
| SCHEMBL5307280 | 0.79 | FDPS (0.48) | — | |
| SCHEMBL1258355 | 0.77 | — | — | |
| SCHEMBL1286514 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL11397668 | 0.75 | — | — | |
| SCHEMBL23478165 | 0.74 | FDPS (0.39) | — | |
| SCHEMBL2371046 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117550963-B | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-04-16 | — | — | CN | claimed |
| CN-117550963-A | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-02-13 | — | — | CN | claimed |
| CN-117550963-B | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117550963-B | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117550963-B | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117550963-A | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-117550963-A | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-117550963-A | Preparation method of acetyl butanediol | 济南悟通生物科技有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-105593368-B | Recombinant microorganism having increased ability to produce 2,3-butanediol and method for producing 2,3-butanediol using same | GS 加德士 | 2021-04-30 | — | — | CN | disclosed |
| US-20190309309-A1 | BACTERIAL CELLS WITH IMPROVED TOLERANCE TO POLYOLS | DANMARKS TEKNISKE UNIVERSITET (DK) | 2019-10-10 | — | — | US | disclosed |
| US-10006008-B2 | Recombinant microorganism having enhanced ability to produce 2,3-butanediol and method for producing 2,3-butanediol using same | GS CALTEX CORPORATION (KR) | 2018-06-26 | — | — | US | disclosed |
| WO-2017211883-A1 | BACTERIAL CELLS WITH IMPROVED TOLERANCE TO POLYOLS | DANMARKS TEKNISKE UNIVERSITET (DK) | 2017-12-14 | — | — | WO | disclosed |
| US-20160244730-A1 | RECOMBINANT MICROORGANISM HAVING ENHANCED ABILITY TO PRODUCE 2,3-BUTANEDIOL AND METHOD FOR PRODUCING 2,3-BUTANEDIOL USING SAME | GS CALTEX CORPORATION (KR) | 2016-08-25 | — | — | US | disclosed |
| CN-105593368-A | Recombinant microorganism having increased ability to produce 2, 3-butanediol and method for producing 2, 3-butanediol using same | GS CALTEX CORP | 2016-05-18 | — | — | CN | disclosed |