⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4474893 | 0.76 | — | — | |
| SCHEMBL8211972 | 0.73 | — | — | |
| SCHEMBL3248772 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL457362 | 0.72 | ALDH1A1 (0.61) | — | |
| SCHEMBL4413323 | 0.71 | — | — | |
| SCHEMBL10906752 | 0.69 | LMNA (0.33) | — | |
| Isopropyl Alcohol SCHEMBL28215578 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL16819071 | 0.67 | TSHR (0.52) | — | |
| SCHEMBL9716233 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL16330836 | 0.67 | MAPK1 (0.40) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113201760-A | Preparation method of 3, 3-dimethoxy-2-butanol | 华东理工大学 | 2021-08-03 | — | — | CN | claimed |
| CN-113201760-A | Preparation method of 3, 3-dimethoxy-2-butanol | 华东理工大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-113201760-A | Preparation method of 3, 3-dimethoxy-2-butanol | 华东理工大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-113201760-A | Preparation method of 3, 3-dimethoxy-2-butanol | 华东理工大学 | 2021-08-03 | — | — | CN | disclosed |
| US-6316676-B1 | OXIDATION WITH OXYGEN USING CATALYST HAVING WEAR RESISTANT SILVER COATING | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-13 | — | — | US | disclosed |
| US-6242653-B1 | BY OXIDATION ON SILVER COATED CATALYST OR SILVER/COPPER CRYSTALS IN A SIMPLE AND ECONOMICAL MANNER, HIGH YIELDS AND PURITY, IMPROVED SELECTIVITY | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-05 | — | — | US | disclosed |
| EP-0873289-B1 | PROCESS FOR CATALYTIC ADDITION OF NUCLEOPHILES TO ALKINES OR ALLENES | BASF AG (DE) | 2000-05-03 | — | — | EP | disclosed |
| US-6037482-A | USING GOLD COMPLEX CATALYST FOR NUCLEOPHILIC ADDITION REACTION OF WATER OR ALCOHOL OR CARBOXYLIC ACID WITH ALKYNESOR ALLENES TO FORM NULCEOPHILE SUBSTITUTED ALKENES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-14 | — | — | US | disclosed |
| EP-0983987-A1 | Process for the preparation of alpha-diketones from ketols or from ketals of ketols | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-08 | — | — | EP | disclosed |
| EP-0873289-A1 | PROCESS FOR CATALYTIC ADDITION OF NUCLEOPHILES TO ALKINES OR ALLENES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997021648-A1 | PROCESS FOR CATALYTIC ADDITION OF NUCLEOPHILES TO ALKINES OR ALLENES | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-19 | — | — | WO | disclosed |
| US-4210595-A | FROM METALLIC TIN, HYDROHALIC ACID, UNSATURATED NITRILE, AND ALCOHOL OR MERCAPTAN | CIBA-GEIGY CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |
| US-4158669-A | INTERMEDIATES FOR PRODUCTION OF POLYVINYL CHLORIDE STABILIZERS | CIBA-GEIGY CORPORATION (US) | 1979-06-19 | — | — | US | disclosed |