⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28902094 | 0.90 | GPR84 (0.45) | — | |
| SCHEMBL28163698 | 0.81 | PTPN1 (0.36) | — | |
| SCHEMBL28829191 | 0.80 | GPR84 (0.35) | — | |
| SCHEMBL17378384 | 0.80 | TET2 (0.35) | — | |
| SCHEMBL11630266 | 0.80 | GPR84 (0.32) | — | |
| SCHEMBL18610931 | 0.79 | — | — | |
| SCHEMBL7595851 | 0.79 | — | — | |
| SCHEMBL105176 | 0.79 | — | — | |
| SCHEMBL5796811 | 0.79 | — | — | |
| SCHEMBL28564669 | 0.78 | GPR84 (0.36) | — |
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 16 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 |
| 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 |
| CN-103360206-B | Produce the method for BDO, tetrahydrofuran (THF), gamma-butyrolactone and butanols | CHINA PETROLEUM & CHEMICAL CORP. (CN) | 2016-03-02 | — | — | CN | disclosed |
| EP-2426098-B1 | PROCESS FOR PRODUCING POLYHYDRIC PHENOL | MITSUI CHEMICALS INC (JP) | 2015-01-21 | — | — | EP | disclosed |
| US-8604253-B2 | Method for producing polyhydric phenol | MITSUI CHEMICALS, INC. (JP) | 2013-12-10 | — | — | US | disclosed |
| EP-2426098-A1 | PROCESS FOR PRODUCING POLYHYDRIC PHENOL | Mitsui Chemicals, Inc. (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120046498-A1 | METHOD FOR PRODUCING POLYHYDRIC PHENOL | MITSUI CHEMICALS, INC. (JP) | 2012-02-23 | — | — | US | disclosed |
| CN-101244984-A | Method for the production of 1,4-butanediol | BASF SE (DE) | 2008-08-20 | — | — | CN | disclosed |