⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6032907 | 0.69 | ABAT (0.32) | — | |
| SCHEMBL18897167 | 0.69 | TLR4 (0.35) | — | |
| SCHEMBL8390012 | 0.68 | — | — | |
| SCHEMBL29908520 | 0.68 | — | — | |
| SCHEMBL30128390 | 0.66 | — | — | |
| SCHEMBL29526579 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL1006027 | 0.65 | — | — | |
| SCHEMBL1399146 | 0.65 | — | — | |
| SCHEMBL17534899 | 0.64 | — | — | |
| SCHEMBL4651220 | 0.64 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106573886-B | Method for producing cyclic alpha-ketols from cyclic alpha-ketoenols | 巴斯夫欧洲公司 | 2020-10-30 | — | — | CN | claimed |
| US-10017464-B2 | Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols | BASF SE (DE) | 2018-07-10 | — | — | US | claimed |
| US-20170217884-A1 | PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS | BASF SE (DE) | 2017-08-03 | — | — | US | claimed |
| CN-106573886-B | Method for producing cyclic alpha-ketols from cyclic alpha-ketoenols | 巴斯夫欧洲公司 | 2020-10-30 | — | — | CN | disclosed |
| US-10017464-B2 | Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols | BASF SE (DE) | 2018-07-10 | — | — | US | disclosed |
| US-10017464-B2 | Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols | BASF SE (DE) | 2018-07-10 | — | — | US | disclosed |
| US-20170217884-A1 | PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS | BASF SE (DE) | 2017-08-03 | — | — | US | disclosed |
| US-20170217884-A1 | PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS | BASF SE (DE) | 2017-08-03 | — | — | US | disclosed |
| EP-3180310-A1 | PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS | BASF SE (DE) | 2017-06-21 | — | — | EP | disclosed |
| EP-3180310-A1 | PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS | BASF SE (DE) | 2017-06-21 | — | — | EP | disclosed |
| CN-106573886-A | Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols | 巴斯夫欧洲公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106573886-A | Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols | 巴斯夫欧洲公司 | 2017-04-19 | — | — | CN | disclosed |
| WO-2016023772-A1 | PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS | BASF SE (DE) | 2016-02-18 | — | — | WO | disclosed |
| WO-2016023772-A1 | PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS | BASF SE (DE) | 2016-02-18 | — | — | WO | disclosed |
| WO-2000023608-A1 | PREPARATION OF AMINO ALCOHOLS | DSM BIOTECH GMBH (DE) | 2000-04-27 | — | — | WO | disclosed |